----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:22:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.561962425133605 0.000000000000000 0.000000000000000 b 0.000000000000000 12.628990809999999 0.000000000000000 c -1.522274206086329 0.000000000000000 7.669023657323772 Atomic positions (fractional): *1 La 0.84230459284828 0.83329026564843 0.36436884664217 138.905 *2 La 0.23869020865650 0.90577712298972 0.03933808523606 138.905 3 La 0.76130979134350 0.40577712298972 0.46066191476394 138.905 4 La 0.23869020865650 0.59422287701028 0.53933808523606 138.905 5 La 0.15769540715172 0.16670973435157 0.63563115335783 138.905 6 La 0.76130979134350 0.09422287701028 0.96066191476394 138.905 7 La 0.15769540715172 0.33329026564843 0.13563115335783 138.905 8 La 0.84230459284828 0.66670973435157 0.86436884664217 138.905 *9 Ge 0.65987622362551 0.38265893393399 0.91094613122212 72.640 10 Ge 0.34012377637449 0.88265893393399 0.58905386877788 72.640 11 Ge 0.34012377637449 0.61734106606601 0.08905386877788 72.640 12 Ge 0.65987622362551 0.11734106606601 0.41094613122212 72.640 *13 S 0.87449437110957 0.29317828842181 0.80404652467620 32.065 *14 S 0.16925012433991 0.97549140574403 0.37878262627597 32.065 *15 S 0.54046290010436 0.76392186974687 0.54579783000823 32.065 16 S 0.83074987566009 0.47549140574403 0.12121737372403 32.065 17 S 0.87449437110957 0.20682171157819 0.30404652467620 32.065 18 S 0.12550562889043 0.70682171157819 0.19595347532380 32.065 19 S 0.12550562889043 0.79317828842181 0.69595347532380 32.065 *20 S 0.14025001525603 0.12028303676778 0.00203485909837 32.065 21 S 0.83074987566009 0.02450859425597 0.62121737372403 32.065 22 S 0.14025001525603 0.37971696323222 0.50203485909837 32.065 *23 S 0.57856099644113 0.50792586509156 0.71657693382161 32.065 24 S 0.45953709989564 0.23607813025313 0.45420216999177 32.065 25 S 0.16925012433991 0.52450859425597 0.87878262627597 32.065 26 S 0.42143900355887 0.00792586509156 0.78342306617839 32.065 27 S 0.85974998474397 0.62028303676778 0.49796514090163 32.065 28 S 0.42143900355887 0.49207413490844 0.28342306617839 32.065 29 S 0.57856099644113 0.99207413490844 0.21657693382161 32.065 30 S 0.85974998474397 0.87971696323222 0.99796514090163 32.065 31 S 0.45953709989564 0.26392186974687 0.95420216999177 32.065 32 S 0.54046290010436 0.73607813025313 0.04579783000823 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.561962425133605 0.000000000000000 0.000000000000000 b 0.000000000000000 12.628990809999999 0.000000000000000 c -1.522274206086329 0.000000000000000 7.669023657323772 Atomic positions (fractional): *1 La 0.84230459284828 0.83329026564843 0.36436884664217 138.905 > 1 *2 La 0.23869020865650 0.90577712298972 0.03933808523606 138.905 > 2 3 La 0.76130979134350 0.40577712298972 0.46066191476394 138.905 > 3 4 La 0.23869020865650 0.59422287701028 0.53933808523606 138.905 > 4 5 La 0.15769540715172 0.16670973435157 0.63563115335783 138.905 > 5 6 La 0.76130979134350 0.09422287701028 0.96066191476394 138.905 > 6 7 La 0.15769540715172 0.33329026564843 0.13563115335783 138.905 > 7 8 La 0.84230459284828 0.66670973435157 0.86436884664217 138.905 > 8 *9 Ge 0.65987622362551 0.38265893393399 0.91094613122212 72.640 > 9 10 Ge 0.34012377637449 0.88265893393399 0.58905386877788 72.640 > 10 11 Ge 0.34012377637449 0.61734106606601 0.08905386877788 72.640 > 11 12 Ge 0.65987622362551 0.11734106606601 0.41094613122212 72.640 > 12 *13 S 0.87449437110957 0.29317828842181 0.80404652467620 32.065 > 13 *14 S 0.16925012433991 0.97549140574403 0.37878262627597 32.065 > 14 *15 S 0.54046290010436 0.76392186974687 0.54579783000823 32.065 > 15 16 S 0.83074987566009 0.47549140574403 0.12121737372403 32.065 > 16 17 S 0.87449437110957 0.20682171157819 0.30404652467620 32.065 > 17 18 S 0.12550562889043 0.70682171157819 0.19595347532380 32.065 > 18 19 S 0.12550562889043 0.79317828842181 0.69595347532380 32.065 > 19 *20 S 0.14025001525603 0.12028303676778 0.00203485909837 32.065 > 20 21 S 0.83074987566009 0.02450859425597 0.62121737372403 32.065 > 21 22 S 0.14025001525603 0.37971696323222 0.50203485909837 32.065 > 22 *23 S 0.57856099644113 0.50792586509156 0.71657693382161 32.065 > 23 24 S 0.45953709989564 0.23607813025313 0.45420216999177 32.065 > 24 25 S 0.16925012433991 0.52450859425597 0.87878262627597 32.065 > 25 26 S 0.42143900355887 0.00792586509156 0.78342306617839 32.065 > 26 27 S 0.85974998474397 0.62028303676778 0.49796514090163 32.065 > 27 28 S 0.42143900355887 0.49207413490844 0.28342306617839 32.065 > 28 29 S 0.57856099644113 0.99207413490844 0.21657693382161 32.065 > 29 30 S 0.85974998474397 0.87971696323222 0.99796514090163 32.065 > 30 31 S 0.45953709989564 0.26392186974687 0.95420216999177 32.065 > 31 32 S 0.54046290010436 0.73607813025313 0.04579783000823 32.065 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.123924850267210 0.000000000000000 0.000000000000000 b 0.000000000000000 12.628990809999999 0.000000000000000 c -3.044548412172658 0.000000000000000 15.338047314647543 Atomic positions (fractional): *1 La 0.42115229642414 0.83329026564843 0.18218442332109 138.905 > 1 2 La 0.92115229642414 0.83329026564843 0.18218442332109 138.905 > 1 3 La 0.42115229642414 0.83329026564843 0.68218442332109 138.905 > 1 4 La 0.92115229642414 0.83329026564843 0.68218442332109 138.905 > 1 *5 La 0.11934510432825 0.90577712298972 0.01966904261803 138.905 > 2 6 La 0.61934510432825 0.90577712298972 0.01966904261803 138.905 > 2 7 La 0.11934510432825 0.90577712298972 0.51966904261803 138.905 > 2 8 La 0.61934510432825 0.90577712298972 0.51966904261803 138.905 > 2 9 La 0.38065489567175 0.40577712298972 0.23033095738197 138.905 > 3 10 La 0.88065489567175 0.40577712298972 0.23033095738197 138.905 > 3 11 La 0.38065489567175 0.40577712298972 0.73033095738197 138.905 > 3 12 La 0.88065489567175 0.40577712298972 0.73033095738197 138.905 > 3 13 La 0.11934510432825 0.59422287701028 0.26966904261803 138.905 > 4 14 La 0.61934510432825 0.59422287701028 0.26966904261803 138.905 > 4 15 La 0.11934510432825 0.59422287701028 0.76966904261803 138.905 > 4 16 La 0.61934510432825 0.59422287701028 0.76966904261803 138.905 > 4 17 La 0.07884770357586 0.16670973435157 0.31781557667891 138.905 > 5 18 La 0.57884770357586 0.16670973435157 0.31781557667891 138.905 > 5 19 La 0.07884770357586 0.16670973435157 0.81781557667891 138.905 > 5 20 La 0.57884770357586 0.16670973435157 0.81781557667891 138.905 > 5 21 La 0.38065489567175 0.09422287701028 0.48033095738197 138.905 > 6 22 La 0.88065489567175 0.09422287701028 0.48033095738197 138.905 > 6 23 La 0.38065489567175 0.09422287701028 0.98033095738197 138.905 > 6 24 La 0.88065489567175 0.09422287701028 0.98033095738197 138.905 > 6 25 La 0.07884770357586 0.33329026564843 0.06781557667891 138.905 > 7 26 La 0.57884770357586 0.33329026564843 0.06781557667891 138.905 > 7 27 La 0.07884770357586 0.33329026564843 0.56781557667891 138.905 > 7 28 La 0.57884770357586 0.33329026564843 0.56781557667891 138.905 > 7 29 La 0.42115229642414 0.66670973435157 0.43218442332109 138.905 > 8 30 La 0.92115229642414 0.66670973435157 0.43218442332109 138.905 > 8 31 La 0.42115229642414 0.66670973435157 0.93218442332109 138.905 > 8 32 La 0.92115229642414 0.66670973435157 0.93218442332109 138.905 > 8 *33 Ge 0.32993811181276 0.38265893393399 0.45547306561106 72.640 > 9 34 Ge 0.82993811181276 0.38265893393399 0.45547306561106 72.640 > 9 35 Ge 0.32993811181276 0.38265893393399 0.95547306561106 72.640 > 9 36 Ge 0.82993811181276 0.38265893393399 0.95547306561106 72.640 > 9 37 Ge 0.17006188818724 0.88265893393399 0.29452693438894 72.640 > 10 38 Ge 0.67006188818724 0.88265893393399 0.29452693438894 72.640 > 10 39 Ge 0.17006188818724 0.88265893393399 0.79452693438894 72.640 > 10 40 Ge 0.67006188818724 0.88265893393399 0.79452693438894 72.640 > 10 41 Ge 0.17006188818724 0.61734106606601 0.04452693438894 72.640 > 11 42 Ge 0.67006188818724 0.61734106606601 0.04452693438894 72.640 > 11 43 Ge 0.17006188818724 0.61734106606601 0.54452693438894 72.640 > 11 44 Ge 0.67006188818724 0.61734106606601 0.54452693438894 72.640 > 11 45 Ge 0.32993811181276 0.11734106606601 0.20547306561106 72.640 > 12 46 Ge 0.82993811181276 0.11734106606601 0.20547306561106 72.640 > 12 47 Ge 0.32993811181276 0.11734106606601 0.70547306561106 72.640 > 12 48 Ge 0.82993811181276 0.11734106606601 0.70547306561106 72.640 > 12 *49 S 0.43724718555479 0.29317828842181 0.40202326233810 32.065 > 13 50 S 0.93724718555479 0.29317828842181 0.40202326233810 32.065 > 13 51 S 0.43724718555479 0.29317828842181 0.90202326233810 32.065 > 13 52 S 0.93724718555479 0.29317828842181 0.90202326233810 32.065 > 13 *53 S 0.08462506216996 0.97549140574403 0.18939131313798 32.065 > 14 54 S 0.58462506216996 0.97549140574403 0.18939131313798 32.065 > 14 55 S 0.08462506216996 0.97549140574403 0.68939131313798 32.065 > 14 56 S 0.58462506216996 0.97549140574403 0.68939131313798 32.065 > 14 *57 S 0.27023145005218 0.76392186974687 0.27289891500412 32.065 > 15 58 S 0.77023145005218 0.76392186974687 0.27289891500412 32.065 > 15 59 S 0.27023145005218 0.76392186974687 0.77289891500412 32.065 > 15 60 S 0.77023145005218 0.76392186974687 0.77289891500412 32.065 > 15 61 S 0.41537493783004 0.47549140574403 0.06060868686202 32.065 > 16 62 S 0.91537493783004 0.47549140574403 0.06060868686202 32.065 > 16 63 S 0.41537493783004 0.47549140574403 0.56060868686202 32.065 > 16 64 S 0.91537493783004 0.47549140574403 0.56060868686202 32.065 > 16 65 S 0.43724718555479 0.20682171157819 0.15202326233810 32.065 > 17 66 S 0.93724718555479 0.20682171157819 0.15202326233810 32.065 > 17 67 S 0.43724718555479 0.20682171157819 0.65202326233810 32.065 > 17 68 S 0.93724718555479 0.20682171157819 0.65202326233810 32.065 > 17 69 S 0.06275281444521 0.70682171157819 0.09797673766190 32.065 > 18 70 S 0.56275281444521 0.70682171157819 0.09797673766190 32.065 > 18 71 S 0.06275281444521 0.70682171157819 0.59797673766190 32.065 > 18 72 S 0.56275281444521 0.70682171157819 0.59797673766190 32.065 > 18 73 S 0.06275281444521 0.79317828842181 0.34797673766190 32.065 > 19 74 S 0.56275281444521 0.79317828842181 0.34797673766190 32.065 > 19 75 S 0.06275281444521 0.79317828842181 0.84797673766190 32.065 > 19 76 S 0.56275281444521 0.79317828842181 0.84797673766190 32.065 > 19 *77 S 0.07012500762801 0.12028303676778 0.00101742954919 32.065 > 20 78 S 0.57012500762801 0.12028303676778 0.00101742954919 32.065 > 20 79 S 0.07012500762801 0.12028303676778 0.50101742954919 32.065 > 20 80 S 0.57012500762801 0.12028303676778 0.50101742954919 32.065 > 20 81 S 0.41537493783004 0.02450859425597 0.31060868686202 32.065 > 21 82 S 0.91537493783004 0.02450859425597 0.31060868686202 32.065 > 21 83 S 0.41537493783004 0.02450859425597 0.81060868686202 32.065 > 21 84 S 0.91537493783004 0.02450859425597 0.81060868686202 32.065 > 21 85 S 0.07012500762801 0.37971696323222 0.25101742954919 32.065 > 22 86 S 0.57012500762801 0.37971696323222 0.25101742954919 32.065 > 22 87 S 0.07012500762801 0.37971696323222 0.75101742954919 32.065 > 22 88 S 0.57012500762801 0.37971696323222 0.75101742954919 32.065 > 22 *89 S 0.28928049822057 0.50792586509156 0.35828846691081 32.065 > 23 90 S 0.78928049822057 0.50792586509156 0.35828846691081 32.065 > 23 91 S 0.28928049822057 0.50792586509156 0.85828846691081 32.065 > 23 92 S 0.78928049822057 0.50792586509156 0.85828846691081 32.065 > 23 93 S 0.22976854994782 0.23607813025313 0.22710108499588 32.065 > 24 94 S 0.72976854994782 0.23607813025313 0.22710108499588 32.065 > 24 95 S 0.22976854994782 0.23607813025313 0.72710108499588 32.065 > 24 96 S 0.72976854994782 0.23607813025313 0.72710108499588 32.065 > 24 97 S 0.08462506216996 0.52450859425597 0.43939131313798 32.065 > 25 98 S 0.58462506216996 0.52450859425597 0.43939131313798 32.065 > 25 99 S 0.08462506216996 0.52450859425597 0.93939131313798 32.065 > 25 100 S 0.58462506216996 0.52450859425597 0.93939131313798 32.065 > 25 101 S 0.21071950177943 0.00792586509156 0.39171153308919 32.065 > 26 102 S 0.71071950177943 0.00792586509156 0.39171153308919 32.065 > 26 103 S 0.21071950177943 0.00792586509156 0.89171153308919 32.065 > 26 104 S 0.71071950177943 0.00792586509156 0.89171153308919 32.065 > 26 105 S 0.42987499237199 0.62028303676778 0.24898257045081 32.065 > 27 106 S 0.92987499237199 0.62028303676778 0.24898257045081 32.065 > 27 107 S 0.42987499237199 0.62028303676778 0.74898257045081 32.065 > 27 108 S 0.92987499237199 0.62028303676778 0.74898257045081 32.065 > 27 109 S 0.21071950177943 0.49207413490844 0.14171153308919 32.065 > 28 110 S 0.71071950177943 0.49207413490844 0.14171153308919 32.065 > 28 111 S 0.21071950177943 0.49207413490844 0.64171153308919 32.065 > 28 112 S 0.71071950177943 0.49207413490844 0.64171153308919 32.065 > 28 113 S 0.28928049822057 0.99207413490844 0.10828846691081 32.065 > 29 114 S 0.78928049822057 0.99207413490844 0.10828846691081 32.065 > 29 115 S 0.28928049822057 0.99207413490844 0.60828846691081 32.065 > 29 116 S 0.78928049822057 0.99207413490844 0.60828846691081 32.065 > 29 117 S 0.42987499237199 0.87971696323222 0.49898257045081 32.065 > 30 118 S 0.92987499237199 0.87971696323222 0.49898257045081 32.065 > 30 119 S 0.42987499237199 0.87971696323222 0.99898257045081 32.065 > 30 120 S 0.92987499237199 0.87971696323222 0.99898257045081 32.065 > 30 121 S 0.22976854994782 0.26392186974687 0.47710108499588 32.065 > 31 122 S 0.72976854994782 0.26392186974687 0.47710108499588 32.065 > 31 123 S 0.22976854994782 0.26392186974687 0.97710108499588 32.065 > 31 124 S 0.72976854994782 0.26392186974687 0.97710108499588 32.065 > 31 125 S 0.27023145005218 0.73607813025313 0.02289891500412 32.065 > 32 126 S 0.77023145005218 0.73607813025313 0.02289891500412 32.065 > 32 127 S 0.27023145005218 0.73607813025313 0.52289891500412 32.065 > 32 128 S 0.77023145005218 0.73607813025313 0.52289891500412 32.065 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.9195310 0.0000000 -0.1132758 0.0000000 8.0292052 0.0000000 -0.1122767 0.0000000 7.2298227 -------------------------- Born effective charges -------------------------- 1 La 4.4210929 0.0166379 -0.1035102 -0.3992041 4.4649979 -0.3362305 -0.0967861 -0.5060107 4.1421611 2 La 4.2051781 0.0868828 0.0486500 0.2539398 4.4827223 -0.1085159 -0.0978039 -0.0532511 4.2245420 3 La 4.2051781 -0.0868828 0.0486500 -0.2539398 4.4827223 0.1085159 -0.0978039 0.0532511 4.2245420 4 La 4.2051781 -0.0868828 0.0486500 -0.2539398 4.4827223 0.1085159 -0.0978039 0.0532511 4.2245420 5 La 4.4210929 0.0166379 -0.1035102 -0.3992041 4.4649979 -0.3362305 -0.0967861 -0.5060107 4.1421611 6 La 4.2051781 0.0868828 0.0486500 0.2539398 4.4827223 -0.1085159 -0.0978039 -0.0532511 4.2245420 7 La 4.4210929 -0.0166379 -0.1035102 0.3992041 4.4649979 0.3362305 -0.0967861 0.5060107 4.1421611 8 La 4.4210929 -0.0166379 -0.1035102 0.3992041 4.4649979 0.3362305 -0.0967861 0.5060107 4.1421611 9 Ge 2.8619918 0.1035899 -0.1437520 -0.0680841 3.1549321 -0.2596585 0.1934783 -0.0291035 2.5702527 10 Ge 2.8619918 -0.1035899 -0.1437520 0.0680841 3.1549321 0.2596585 0.1934783 0.0291035 2.5702527 11 Ge 2.8619918 0.1035899 -0.1437520 -0.0680841 3.1549321 -0.2596585 0.1934783 -0.0291035 2.5702527 12 Ge 2.8619918 -0.1035899 -0.1437520 0.0680841 3.1549321 0.2596585 0.1934783 0.0291035 2.5702527 13 S -2.5755508 0.5014313 0.5041049 0.4808623 -2.1811318 -0.0215162 0.3922755 -0.1198790 -2.5230970 14 S -1.8815810 0.0899385 -0.1271236 0.1812560 -1.8705366 -0.3016203 -0.2639922 -0.2505584 -2.3416113 15 S -2.2256830 -0.2348468 0.0909784 -0.3975760 -1.8962803 0.2321123 0.0566742 0.2083726 -1.5463407 16 S -1.8815810 -0.0899385 -0.1271236 -0.1812560 -1.8705366 0.3016203 -0.2639922 0.2505584 -2.3416113 17 S -2.5755508 -0.5014313 0.5041049 -0.4808623 -2.1811318 0.0215162 0.3922755 0.1198790 -2.5230970 18 S -2.5755508 0.5014313 0.5041049 0.4808623 -2.1811318 -0.0215162 0.3922755 -0.1198790 -2.5230970 19 S -2.5755508 -0.5014313 0.5041049 -0.4808623 -2.1811318 0.0215162 0.3922755 0.1198790 -2.5230970 20 S -2.8480168 -0.1374551 0.1515862 -0.1517147 -3.7146114 0.1250328 0.2572894 -0.0296164 -2.3458441 21 S -1.8815810 0.0899385 -0.1271236 0.1812560 -1.8705366 -0.3016203 -0.2639922 -0.2505584 -2.3416113 22 S -2.8480168 0.1374551 0.1515862 0.1517147 -3.7146114 -0.1250328 0.2572894 0.0296164 -2.3458441 23 S -1.9574313 0.3611871 -0.4209337 0.3145023 -2.4400922 0.3723600 -0.4411353 0.2641462 -2.1800627 24 S -2.2256830 -0.2348468 0.0909784 -0.3975760 -1.8962803 0.2321123 0.0566742 0.2083726 -1.5463407 25 S -1.8815810 -0.0899385 -0.1271236 -0.1812560 -1.8705366 0.3016203 -0.2639922 0.2505584 -2.3416113 26 S -1.9574313 -0.3611871 -0.4209337 -0.3145023 -2.4400922 -0.3723600 -0.4411353 -0.2641462 -2.1800627 27 S -2.8480168 0.1374551 0.1515862 0.1517147 -3.7146114 -0.1250328 0.2572894 0.0296164 -2.3458441 28 S -1.9574313 0.3611871 -0.4209337 0.3145023 -2.4400922 0.3723600 -0.4411353 0.2641462 -2.1800627 29 S -1.9574313 -0.3611871 -0.4209337 -0.3145023 -2.4400922 -0.3723600 -0.4411353 -0.2641462 -2.1800627 30 S -2.8480168 -0.1374551 0.1515862 -0.1517147 -3.7146114 0.1250328 0.2572894 -0.0296164 -2.3458441 31 S -2.2256830 0.2348468 0.0909784 0.3975760 -1.8962803 -0.2321123 0.0566742 -0.2083726 -1.5463407 32 S -2.2256830 0.2348468 0.0909784 0.3975760 -1.8962803 -0.2321123 0.0566742 -0.2083726 -1.5463407 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 235 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 235 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 16), data: (560, 24) @ (24, 16) |-- (60, 52), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 15), data: (1024, 31) @ (31, 15) |-- (524, 509), data: False |-- (524, 12), data: (524, 27) @ (27, 12) |-- (274, 262), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 15), data: (1024, 31) @ (31, 15) |-- (524, 509), data: False |-- (524, 12), data: (524, 27) @ (27, 12) |-- (274, 262), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.367 Solver_block: 200 / 960 - Time: 1.229 Solver_block: 300 / 960 - Time: 1.212 Solver_block: 400 / 960 - Time: 1.207 Solver_block: 500 / 960 - Time: 1.218 Solver_block: 600 / 960 - Time: 1.222 Solver_block: 700 / 960 - Time: 1.212 Solver_block: 800 / 960 - Time: 1.193 Solver_block: 900 / 960 - Time: 1.191 Solver_block: 960 / 960 - Time: 0.779 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.167 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 235 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 235 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 16), data: (560, 24) @ (24, 16) |-- (60, 52), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 15), data: (1024, 31) @ (31, 15) |-- (524, 509), data: False |-- (524, 12), data: (524, 27) @ (27, 12) |-- (274, 262), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 15), data: (1024, 31) @ (31, 15) |-- (524, 509), data: False |-- (524, 12), data: (524, 27) @ (27, 12) |-- (274, 262), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 20:23:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:23:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.561962425133605 0.000000000000000 0.000000000000000 b 0.000000000000000 12.628990809999999 0.000000000000000 c -1.522274206086329 0.000000000000000 7.669023657323772 Atomic positions (fractional): 1 La 0.84230459284828 0.83329026564843 0.36436884664217 138.905 2 La 0.23869020865650 0.90577712298972 0.03933808523606 138.905 3 La 0.76130979134350 0.40577712298972 0.46066191476394 138.905 4 La 0.23869020865650 0.59422287701028 0.53933808523606 138.905 5 La 0.15769540715172 0.16670973435157 0.63563115335783 138.905 6 La 0.76130979134350 0.09422287701028 0.96066191476394 138.905 7 La 0.15769540715172 0.33329026564843 0.13563115335783 138.905 8 La 0.84230459284828 0.66670973435157 0.86436884664217 138.905 9 Ge 0.65987622362551 0.38265893393399 0.91094613122212 72.640 10 Ge 0.34012377637449 0.88265893393399 0.58905386877788 72.640 11 Ge 0.34012377637449 0.61734106606601 0.08905386877788 72.640 12 Ge 0.65987622362551 0.11734106606601 0.41094613122212 72.640 13 S 0.87449437110957 0.29317828842181 0.80404652467620 32.065 14 S 0.16925012433991 0.97549140574403 0.37878262627597 32.065 15 S 0.54046290010436 0.76392186974687 0.54579783000823 32.065 16 S 0.83074987566009 0.47549140574403 0.12121737372403 32.065 17 S 0.87449437110957 0.20682171157819 0.30404652467620 32.065 18 S 0.12550562889043 0.70682171157819 0.19595347532380 32.065 19 S 0.12550562889043 0.79317828842181 0.69595347532380 32.065 20 S 0.14025001525603 0.12028303676778 0.00203485909837 32.065 21 S 0.83074987566009 0.02450859425597 0.62121737372403 32.065 22 S 0.14025001525603 0.37971696323222 0.50203485909837 32.065 23 S 0.57856099644113 0.50792586509156 0.71657693382161 32.065 24 S 0.45953709989564 0.23607813025313 0.45420216999177 32.065 25 S 0.16925012433991 0.52450859425597 0.87878262627597 32.065 26 S 0.42143900355887 0.00792586509156 0.78342306617839 32.065 27 S 0.85974998474397 0.62028303676778 0.49796514090163 32.065 28 S 0.42143900355887 0.49207413490844 0.28342306617839 32.065 29 S 0.57856099644113 0.99207413490844 0.21657693382161 32.065 30 S 0.85974998474397 0.87971696323222 0.99796514090163 32.065 31 S 0.45953709989564 0.26392186974687 0.95420216999177 32.065 32 S 0.54046290010436 0.73607813025313 0.04579783000823 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.123924850267210 0.000000000000000 0.000000000000000 b 0.000000000000000 12.628990809999999 0.000000000000000 c -3.044548412172658 0.000000000000000 15.338047314647543 Atomic positions (fractional): 1 La 0.42115229642414 0.83329026564843 0.18218442332109 138.905 > 1 2 La 0.92115229642414 0.83329026564843 0.18218442332109 138.905 > 1 3 La 0.42115229642414 0.83329026564843 0.68218442332109 138.905 > 1 4 La 0.92115229642414 0.83329026564843 0.68218442332109 138.905 > 1 5 La 0.11934510432825 0.90577712298972 0.01966904261803 138.905 > 5 6 La 0.61934510432825 0.90577712298972 0.01966904261803 138.905 > 5 7 La 0.11934510432825 0.90577712298972 0.51966904261803 138.905 > 5 8 La 0.61934510432825 0.90577712298972 0.51966904261803 138.905 > 5 9 La 0.38065489567175 0.40577712298972 0.23033095738197 138.905 > 9 10 La 0.88065489567175 0.40577712298972 0.23033095738197 138.905 > 9 11 La 0.38065489567175 0.40577712298972 0.73033095738197 138.905 > 9 12 La 0.88065489567175 0.40577712298972 0.73033095738197 138.905 > 9 13 La 0.11934510432825 0.59422287701028 0.26966904261803 138.905 > 13 14 La 0.61934510432825 0.59422287701028 0.26966904261803 138.905 > 13 15 La 0.11934510432825 0.59422287701028 0.76966904261803 138.905 > 13 16 La 0.61934510432825 0.59422287701028 0.76966904261803 138.905 > 13 17 La 0.07884770357586 0.16670973435157 0.31781557667891 138.905 > 17 18 La 0.57884770357586 0.16670973435157 0.31781557667891 138.905 > 17 19 La 0.07884770357586 0.16670973435157 0.81781557667891 138.905 > 17 20 La 0.57884770357586 0.16670973435157 0.81781557667891 138.905 > 17 21 La 0.38065489567175 0.09422287701028 0.48033095738197 138.905 > 21 22 La 0.88065489567175 0.09422287701028 0.48033095738197 138.905 > 21 23 La 0.38065489567175 0.09422287701028 0.98033095738197 138.905 > 21 24 La 0.88065489567175 0.09422287701028 0.98033095738197 138.905 > 21 25 La 0.07884770357586 0.33329026564843 0.06781557667891 138.905 > 25 26 La 0.57884770357586 0.33329026564843 0.06781557667891 138.905 > 25 27 La 0.07884770357586 0.33329026564843 0.56781557667891 138.905 > 25 28 La 0.57884770357586 0.33329026564843 0.56781557667891 138.905 > 25 29 La 0.42115229642414 0.66670973435157 0.43218442332109 138.905 > 29 30 La 0.92115229642414 0.66670973435157 0.43218442332109 138.905 > 29 31 La 0.42115229642414 0.66670973435157 0.93218442332109 138.905 > 29 32 La 0.92115229642414 0.66670973435157 0.93218442332109 138.905 > 29 33 Ge 0.32993811181276 0.38265893393399 0.45547306561106 72.640 > 33 34 Ge 0.82993811181276 0.38265893393399 0.45547306561106 72.640 > 33 35 Ge 0.32993811181276 0.38265893393399 0.95547306561106 72.640 > 33 36 Ge 0.82993811181276 0.38265893393399 0.95547306561106 72.640 > 33 37 Ge 0.17006188818724 0.88265893393399 0.29452693438894 72.640 > 37 38 Ge 0.67006188818724 0.88265893393399 0.29452693438894 72.640 > 37 39 Ge 0.17006188818724 0.88265893393399 0.79452693438894 72.640 > 37 40 Ge 0.67006188818724 0.88265893393399 0.79452693438894 72.640 > 37 41 Ge 0.17006188818724 0.61734106606601 0.04452693438894 72.640 > 41 42 Ge 0.67006188818724 0.61734106606601 0.04452693438894 72.640 > 41 43 Ge 0.17006188818724 0.61734106606601 0.54452693438894 72.640 > 41 44 Ge 0.67006188818724 0.61734106606601 0.54452693438894 72.640 > 41 45 Ge 0.32993811181276 0.11734106606601 0.20547306561106 72.640 > 45 46 Ge 0.82993811181276 0.11734106606601 0.20547306561106 72.640 > 45 47 Ge 0.32993811181276 0.11734106606601 0.70547306561106 72.640 > 45 48 Ge 0.82993811181276 0.11734106606601 0.70547306561106 72.640 > 45 49 S 0.43724718555479 0.29317828842181 0.40202326233810 32.065 > 49 50 S 0.93724718555479 0.29317828842181 0.40202326233810 32.065 > 49 51 S 0.43724718555479 0.29317828842181 0.90202326233810 32.065 > 49 52 S 0.93724718555479 0.29317828842181 0.90202326233810 32.065 > 49 53 S 0.08462506216996 0.97549140574403 0.18939131313798 32.065 > 53 54 S 0.58462506216996 0.97549140574403 0.18939131313798 32.065 > 53 55 S 0.08462506216996 0.97549140574403 0.68939131313798 32.065 > 53 56 S 0.58462506216996 0.97549140574403 0.68939131313798 32.065 > 53 57 S 0.27023145005218 0.76392186974687 0.27289891500412 32.065 > 57 58 S 0.77023145005218 0.76392186974687 0.27289891500412 32.065 > 57 59 S 0.27023145005218 0.76392186974687 0.77289891500412 32.065 > 57 60 S 0.77023145005218 0.76392186974687 0.77289891500412 32.065 > 57 61 S 0.41537493783004 0.47549140574403 0.06060868686202 32.065 > 61 62 S 0.91537493783004 0.47549140574403 0.06060868686202 32.065 > 61 63 S 0.41537493783004 0.47549140574403 0.56060868686202 32.065 > 61 64 S 0.91537493783004 0.47549140574403 0.56060868686202 32.065 > 61 65 S 0.43724718555479 0.20682171157819 0.15202326233810 32.065 > 65 66 S 0.93724718555479 0.20682171157819 0.15202326233810 32.065 > 65 67 S 0.43724718555479 0.20682171157819 0.65202326233810 32.065 > 65 68 S 0.93724718555479 0.20682171157819 0.65202326233810 32.065 > 65 69 S 0.06275281444521 0.70682171157819 0.09797673766190 32.065 > 69 70 S 0.56275281444521 0.70682171157819 0.09797673766190 32.065 > 69 71 S 0.06275281444521 0.70682171157819 0.59797673766190 32.065 > 69 72 S 0.56275281444521 0.70682171157819 0.59797673766190 32.065 > 69 73 S 0.06275281444521 0.79317828842181 0.34797673766190 32.065 > 73 74 S 0.56275281444521 0.79317828842181 0.34797673766190 32.065 > 73 75 S 0.06275281444521 0.79317828842181 0.84797673766190 32.065 > 73 76 S 0.56275281444521 0.79317828842181 0.84797673766190 32.065 > 73 77 S 0.07012500762801 0.12028303676778 0.00101742954919 32.065 > 77 78 S 0.57012500762801 0.12028303676778 0.00101742954919 32.065 > 77 79 S 0.07012500762801 0.12028303676778 0.50101742954919 32.065 > 77 80 S 0.57012500762801 0.12028303676778 0.50101742954919 32.065 > 77 81 S 0.41537493783004 0.02450859425597 0.31060868686202 32.065 > 81 82 S 0.91537493783004 0.02450859425597 0.31060868686202 32.065 > 81 83 S 0.41537493783004 0.02450859425597 0.81060868686202 32.065 > 81 84 S 0.91537493783004 0.02450859425597 0.81060868686202 32.065 > 81 85 S 0.07012500762801 0.37971696323222 0.25101742954919 32.065 > 85 86 S 0.57012500762801 0.37971696323222 0.25101742954919 32.065 > 85 87 S 0.07012500762801 0.37971696323222 0.75101742954919 32.065 > 85 88 S 0.57012500762801 0.37971696323222 0.75101742954919 32.065 > 85 89 S 0.28928049822057 0.50792586509156 0.35828846691081 32.065 > 89 90 S 0.78928049822057 0.50792586509156 0.35828846691081 32.065 > 89 91 S 0.28928049822057 0.50792586509156 0.85828846691081 32.065 > 89 92 S 0.78928049822057 0.50792586509156 0.85828846691081 32.065 > 89 93 S 0.22976854994782 0.23607813025313 0.22710108499588 32.065 > 93 94 S 0.72976854994782 0.23607813025313 0.22710108499588 32.065 > 93 95 S 0.22976854994782 0.23607813025313 0.72710108499588 32.065 > 93 96 S 0.72976854994782 0.23607813025313 0.72710108499588 32.065 > 93 97 S 0.08462506216996 0.52450859425597 0.43939131313798 32.065 > 97 98 S 0.58462506216996 0.52450859425597 0.43939131313798 32.065 > 97 99 S 0.08462506216996 0.52450859425597 0.93939131313798 32.065 > 97 100 S 0.58462506216996 0.52450859425597 0.93939131313798 32.065 > 97 101 S 0.21071950177943 0.00792586509156 0.39171153308919 32.065 > 101 102 S 0.71071950177943 0.00792586509156 0.39171153308919 32.065 > 101 103 S 0.21071950177943 0.00792586509156 0.89171153308919 32.065 > 101 104 S 0.71071950177943 0.00792586509156 0.89171153308919 32.065 > 101 105 S 0.42987499237199 0.62028303676778 0.24898257045081 32.065 > 105 106 S 0.92987499237199 0.62028303676778 0.24898257045081 32.065 > 105 107 S 0.42987499237199 0.62028303676778 0.74898257045081 32.065 > 105 108 S 0.92987499237199 0.62028303676778 0.74898257045081 32.065 > 105 109 S 0.21071950177943 0.49207413490844 0.14171153308919 32.065 > 109 110 S 0.71071950177943 0.49207413490844 0.14171153308919 32.065 > 109 111 S 0.21071950177943 0.49207413490844 0.64171153308919 32.065 > 109 112 S 0.71071950177943 0.49207413490844 0.64171153308919 32.065 > 109 113 S 0.28928049822057 0.99207413490844 0.10828846691081 32.065 > 113 114 S 0.78928049822057 0.99207413490844 0.10828846691081 32.065 > 113 115 S 0.28928049822057 0.99207413490844 0.60828846691081 32.065 > 113 116 S 0.78928049822057 0.99207413490844 0.60828846691081 32.065 > 113 117 S 0.42987499237199 0.87971696323222 0.49898257045081 32.065 > 117 118 S 0.92987499237199 0.87971696323222 0.49898257045081 32.065 > 117 119 S 0.42987499237199 0.87971696323222 0.99898257045081 32.065 > 117 120 S 0.92987499237199 0.87971696323222 0.99898257045081 32.065 > 117 121 S 0.22976854994782 0.26392186974687 0.47710108499588 32.065 > 121 122 S 0.72976854994782 0.26392186974687 0.47710108499588 32.065 > 121 123 S 0.22976854994782 0.26392186974687 0.97710108499588 32.065 > 121 124 S 0.72976854994782 0.26392186974687 0.97710108499588 32.065 > 121 125 S 0.27023145005218 0.73607813025313 0.02289891500412 32.065 > 125 126 S 0.77023145005218 0.73607813025313 0.02289891500412 32.065 > 125 127 S 0.27023145005218 0.73607813025313 0.52289891500412 32.065 > 125 128 S 0.77023145005218 0.73607813025313 0.52289891500412 32.065 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.9195310 0.0000000 -0.1132758 0.0000000 8.0292052 0.0000000 -0.1122767 0.0000000 7.2298227 -------------------------- Born effective charges -------------------------- 1 La 4.4210929 0.0166379 -0.1035102 -0.3992041 4.4649979 -0.3362305 -0.0967861 -0.5060107 4.1421611 2 La 4.2051781 0.0868828 0.0486500 0.2539398 4.4827223 -0.1085159 -0.0978039 -0.0532511 4.2245420 3 La 4.2051781 -0.0868828 0.0486500 -0.2539398 4.4827223 0.1085159 -0.0978039 0.0532511 4.2245420 4 La 4.2051781 -0.0868828 0.0486500 -0.2539398 4.4827223 0.1085159 -0.0978039 0.0532511 4.2245420 5 La 4.4210929 0.0166379 -0.1035102 -0.3992041 4.4649979 -0.3362305 -0.0967861 -0.5060107 4.1421611 6 La 4.2051781 0.0868828 0.0486500 0.2539398 4.4827223 -0.1085159 -0.0978039 -0.0532511 4.2245420 7 La 4.4210929 -0.0166379 -0.1035102 0.3992041 4.4649979 0.3362305 -0.0967861 0.5060107 4.1421611 8 La 4.4210929 -0.0166379 -0.1035102 0.3992041 4.4649979 0.3362305 -0.0967861 0.5060107 4.1421611 9 Ge 2.8619918 0.1035899 -0.1437520 -0.0680841 3.1549321 -0.2596585 0.1934783 -0.0291035 2.5702527 10 Ge 2.8619918 -0.1035899 -0.1437520 0.0680841 3.1549321 0.2596585 0.1934783 0.0291035 2.5702527 11 Ge 2.8619918 0.1035899 -0.1437520 -0.0680841 3.1549321 -0.2596585 0.1934783 -0.0291035 2.5702527 12 Ge 2.8619918 -0.1035899 -0.1437520 0.0680841 3.1549321 0.2596585 0.1934783 0.0291035 2.5702527 13 S -2.5755508 0.5014313 0.5041049 0.4808623 -2.1811318 -0.0215162 0.3922755 -0.1198790 -2.5230970 14 S -1.8815810 0.0899385 -0.1271236 0.1812560 -1.8705366 -0.3016203 -0.2639922 -0.2505584 -2.3416113 15 S -2.2256830 -0.2348468 0.0909784 -0.3975760 -1.8962803 0.2321123 0.0566742 0.2083726 -1.5463407 16 S -1.8815810 -0.0899385 -0.1271236 -0.1812560 -1.8705366 0.3016203 -0.2639922 0.2505584 -2.3416113 17 S -2.5755508 -0.5014313 0.5041049 -0.4808623 -2.1811318 0.0215162 0.3922755 0.1198790 -2.5230970 18 S -2.5755508 0.5014313 0.5041049 0.4808623 -2.1811318 -0.0215162 0.3922755 -0.1198790 -2.5230970 19 S -2.5755508 -0.5014313 0.5041049 -0.4808623 -2.1811318 0.0215162 0.3922755 0.1198790 -2.5230970 20 S -2.8480168 -0.1374551 0.1515862 -0.1517147 -3.7146114 0.1250328 0.2572894 -0.0296164 -2.3458441 21 S -1.8815810 0.0899385 -0.1271236 0.1812560 -1.8705366 -0.3016203 -0.2639922 -0.2505584 -2.3416113 22 S -2.8480168 0.1374551 0.1515862 0.1517147 -3.7146114 -0.1250328 0.2572894 0.0296164 -2.3458441 23 S -1.9574313 0.3611871 -0.4209337 0.3145023 -2.4400922 0.3723600 -0.4411353 0.2641462 -2.1800627 24 S -2.2256830 -0.2348468 0.0909784 -0.3975760 -1.8962803 0.2321123 0.0566742 0.2083726 -1.5463407 25 S -1.8815810 -0.0899385 -0.1271236 -0.1812560 -1.8705366 0.3016203 -0.2639922 0.2505584 -2.3416113 26 S -1.9574313 -0.3611871 -0.4209337 -0.3145023 -2.4400922 -0.3723600 -0.4411353 -0.2641462 -2.1800627 27 S -2.8480168 0.1374551 0.1515862 0.1517147 -3.7146114 -0.1250328 0.2572894 0.0296164 -2.3458441 28 S -1.9574313 0.3611871 -0.4209337 0.3145023 -2.4400922 0.3723600 -0.4411353 0.2641462 -2.1800627 29 S -1.9574313 -0.3611871 -0.4209337 -0.3145023 -2.4400922 -0.3723600 -0.4411353 -0.2641462 -2.1800627 30 S -2.8480168 -0.1374551 0.1515862 -0.1517147 -3.7146114 0.1250328 0.2572894 -0.0296164 -2.3458441 31 S -2.2256830 0.2348468 0.0909784 0.3975760 -1.8962803 -0.2321123 0.0566742 -0.2083726 -1.5463407 32 S -2.2256830 0.2348468 0.0909784 0.3975760 -1.8962803 -0.2321123 0.0566742 -0.2083726 -1.5463407 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:24:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:24:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.561962425133605 0.000000000000000 0.000000000000000 b 0.000000000000000 12.628990809999999 0.000000000000000 c -1.522274206086329 0.000000000000000 7.669023657323772 Atomic positions (fractional): 1 La 0.84230459284828 0.83329026564843 0.36436884664217 138.905 2 La 0.23869020865650 0.90577712298972 0.03933808523606 138.905 3 La 0.76130979134350 0.40577712298972 0.46066191476394 138.905 4 La 0.23869020865650 0.59422287701028 0.53933808523606 138.905 5 La 0.15769540715172 0.16670973435157 0.63563115335783 138.905 6 La 0.76130979134350 0.09422287701028 0.96066191476394 138.905 7 La 0.15769540715172 0.33329026564843 0.13563115335783 138.905 8 La 0.84230459284828 0.66670973435157 0.86436884664217 138.905 9 Ge 0.65987622362551 0.38265893393399 0.91094613122212 72.640 10 Ge 0.34012377637449 0.88265893393399 0.58905386877788 72.640 11 Ge 0.34012377637449 0.61734106606601 0.08905386877788 72.640 12 Ge 0.65987622362551 0.11734106606601 0.41094613122212 72.640 13 S 0.87449437110957 0.29317828842181 0.80404652467620 32.065 14 S 0.16925012433991 0.97549140574403 0.37878262627597 32.065 15 S 0.54046290010436 0.76392186974687 0.54579783000823 32.065 16 S 0.83074987566009 0.47549140574403 0.12121737372403 32.065 17 S 0.87449437110957 0.20682171157819 0.30404652467620 32.065 18 S 0.12550562889043 0.70682171157819 0.19595347532380 32.065 19 S 0.12550562889043 0.79317828842181 0.69595347532380 32.065 20 S 0.14025001525603 0.12028303676778 0.00203485909837 32.065 21 S 0.83074987566009 0.02450859425597 0.62121737372403 32.065 22 S 0.14025001525603 0.37971696323222 0.50203485909837 32.065 23 S 0.57856099644113 0.50792586509156 0.71657693382161 32.065 24 S 0.45953709989564 0.23607813025313 0.45420216999177 32.065 25 S 0.16925012433991 0.52450859425597 0.87878262627597 32.065 26 S 0.42143900355887 0.00792586509156 0.78342306617839 32.065 27 S 0.85974998474397 0.62028303676778 0.49796514090163 32.065 28 S 0.42143900355887 0.49207413490844 0.28342306617839 32.065 29 S 0.57856099644113 0.99207413490844 0.21657693382161 32.065 30 S 0.85974998474397 0.87971696323222 0.99796514090163 32.065 31 S 0.45953709989564 0.26392186974687 0.95420216999177 32.065 32 S 0.54046290010436 0.73607813025313 0.04579783000823 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.123924850267210 0.000000000000000 0.000000000000000 b 0.000000000000000 12.628990809999999 0.000000000000000 c -3.044548412172658 0.000000000000000 15.338047314647543 Atomic positions (fractional): 1 La 0.42115229642414 0.83329026564843 0.18218442332109 138.905 > 1 2 La 0.92115229642414 0.83329026564843 0.18218442332109 138.905 > 1 3 La 0.42115229642414 0.83329026564843 0.68218442332109 138.905 > 1 4 La 0.92115229642414 0.83329026564843 0.68218442332109 138.905 > 1 5 La 0.11934510432825 0.90577712298972 0.01966904261803 138.905 > 5 6 La 0.61934510432825 0.90577712298972 0.01966904261803 138.905 > 5 7 La 0.11934510432825 0.90577712298972 0.51966904261803 138.905 > 5 8 La 0.61934510432825 0.90577712298972 0.51966904261803 138.905 > 5 9 La 0.38065489567175 0.40577712298972 0.23033095738197 138.905 > 9 10 La 0.88065489567175 0.40577712298972 0.23033095738197 138.905 > 9 11 La 0.38065489567175 0.40577712298972 0.73033095738197 138.905 > 9 12 La 0.88065489567175 0.40577712298972 0.73033095738197 138.905 > 9 13 La 0.11934510432825 0.59422287701028 0.26966904261803 138.905 > 13 14 La 0.61934510432825 0.59422287701028 0.26966904261803 138.905 > 13 15 La 0.11934510432825 0.59422287701028 0.76966904261803 138.905 > 13 16 La 0.61934510432825 0.59422287701028 0.76966904261803 138.905 > 13 17 La 0.07884770357586 0.16670973435157 0.31781557667891 138.905 > 17 18 La 0.57884770357586 0.16670973435157 0.31781557667891 138.905 > 17 19 La 0.07884770357586 0.16670973435157 0.81781557667891 138.905 > 17 20 La 0.57884770357586 0.16670973435157 0.81781557667891 138.905 > 17 21 La 0.38065489567175 0.09422287701028 0.48033095738197 138.905 > 21 22 La 0.88065489567175 0.09422287701028 0.48033095738197 138.905 > 21 23 La 0.38065489567175 0.09422287701028 0.98033095738197 138.905 > 21 24 La 0.88065489567175 0.09422287701028 0.98033095738197 138.905 > 21 25 La 0.07884770357586 0.33329026564843 0.06781557667891 138.905 > 25 26 La 0.57884770357586 0.33329026564843 0.06781557667891 138.905 > 25 27 La 0.07884770357586 0.33329026564843 0.56781557667891 138.905 > 25 28 La 0.57884770357586 0.33329026564843 0.56781557667891 138.905 > 25 29 La 0.42115229642414 0.66670973435157 0.43218442332109 138.905 > 29 30 La 0.92115229642414 0.66670973435157 0.43218442332109 138.905 > 29 31 La 0.42115229642414 0.66670973435157 0.93218442332109 138.905 > 29 32 La 0.92115229642414 0.66670973435157 0.93218442332109 138.905 > 29 33 Ge 0.32993811181276 0.38265893393399 0.45547306561106 72.640 > 33 34 Ge 0.82993811181276 0.38265893393399 0.45547306561106 72.640 > 33 35 Ge 0.32993811181276 0.38265893393399 0.95547306561106 72.640 > 33 36 Ge 0.82993811181276 0.38265893393399 0.95547306561106 72.640 > 33 37 Ge 0.17006188818724 0.88265893393399 0.29452693438894 72.640 > 37 38 Ge 0.67006188818724 0.88265893393399 0.29452693438894 72.640 > 37 39 Ge 0.17006188818724 0.88265893393399 0.79452693438894 72.640 > 37 40 Ge 0.67006188818724 0.88265893393399 0.79452693438894 72.640 > 37 41 Ge 0.17006188818724 0.61734106606601 0.04452693438894 72.640 > 41 42 Ge 0.67006188818724 0.61734106606601 0.04452693438894 72.640 > 41 43 Ge 0.17006188818724 0.61734106606601 0.54452693438894 72.640 > 41 44 Ge 0.67006188818724 0.61734106606601 0.54452693438894 72.640 > 41 45 Ge 0.32993811181276 0.11734106606601 0.20547306561106 72.640 > 45 46 Ge 0.82993811181276 0.11734106606601 0.20547306561106 72.640 > 45 47 Ge 0.32993811181276 0.11734106606601 0.70547306561106 72.640 > 45 48 Ge 0.82993811181276 0.11734106606601 0.70547306561106 72.640 > 45 49 S 0.43724718555479 0.29317828842181 0.40202326233810 32.065 > 49 50 S 0.93724718555479 0.29317828842181 0.40202326233810 32.065 > 49 51 S 0.43724718555479 0.29317828842181 0.90202326233810 32.065 > 49 52 S 0.93724718555479 0.29317828842181 0.90202326233810 32.065 > 49 53 S 0.08462506216996 0.97549140574403 0.18939131313798 32.065 > 53 54 S 0.58462506216996 0.97549140574403 0.18939131313798 32.065 > 53 55 S 0.08462506216996 0.97549140574403 0.68939131313798 32.065 > 53 56 S 0.58462506216996 0.97549140574403 0.68939131313798 32.065 > 53 57 S 0.27023145005218 0.76392186974687 0.27289891500412 32.065 > 57 58 S 0.77023145005218 0.76392186974687 0.27289891500412 32.065 > 57 59 S 0.27023145005218 0.76392186974687 0.77289891500412 32.065 > 57 60 S 0.77023145005218 0.76392186974687 0.77289891500412 32.065 > 57 61 S 0.41537493783004 0.47549140574403 0.06060868686202 32.065 > 61 62 S 0.91537493783004 0.47549140574403 0.06060868686202 32.065 > 61 63 S 0.41537493783004 0.47549140574403 0.56060868686202 32.065 > 61 64 S 0.91537493783004 0.47549140574403 0.56060868686202 32.065 > 61 65 S 0.43724718555479 0.20682171157819 0.15202326233810 32.065 > 65 66 S 0.93724718555479 0.20682171157819 0.15202326233810 32.065 > 65 67 S 0.43724718555479 0.20682171157819 0.65202326233810 32.065 > 65 68 S 0.93724718555479 0.20682171157819 0.65202326233810 32.065 > 65 69 S 0.06275281444521 0.70682171157819 0.09797673766190 32.065 > 69 70 S 0.56275281444521 0.70682171157819 0.09797673766190 32.065 > 69 71 S 0.06275281444521 0.70682171157819 0.59797673766190 32.065 > 69 72 S 0.56275281444521 0.70682171157819 0.59797673766190 32.065 > 69 73 S 0.06275281444521 0.79317828842181 0.34797673766190 32.065 > 73 74 S 0.56275281444521 0.79317828842181 0.34797673766190 32.065 > 73 75 S 0.06275281444521 0.79317828842181 0.84797673766190 32.065 > 73 76 S 0.56275281444521 0.79317828842181 0.84797673766190 32.065 > 73 77 S 0.07012500762801 0.12028303676778 0.00101742954919 32.065 > 77 78 S 0.57012500762801 0.12028303676778 0.00101742954919 32.065 > 77 79 S 0.07012500762801 0.12028303676778 0.50101742954919 32.065 > 77 80 S 0.57012500762801 0.12028303676778 0.50101742954919 32.065 > 77 81 S 0.41537493783004 0.02450859425597 0.31060868686202 32.065 > 81 82 S 0.91537493783004 0.02450859425597 0.31060868686202 32.065 > 81 83 S 0.41537493783004 0.02450859425597 0.81060868686202 32.065 > 81 84 S 0.91537493783004 0.02450859425597 0.81060868686202 32.065 > 81 85 S 0.07012500762801 0.37971696323222 0.25101742954919 32.065 > 85 86 S 0.57012500762801 0.37971696323222 0.25101742954919 32.065 > 85 87 S 0.07012500762801 0.37971696323222 0.75101742954919 32.065 > 85 88 S 0.57012500762801 0.37971696323222 0.75101742954919 32.065 > 85 89 S 0.28928049822057 0.50792586509156 0.35828846691081 32.065 > 89 90 S 0.78928049822057 0.50792586509156 0.35828846691081 32.065 > 89 91 S 0.28928049822057 0.50792586509156 0.85828846691081 32.065 > 89 92 S 0.78928049822057 0.50792586509156 0.85828846691081 32.065 > 89 93 S 0.22976854994782 0.23607813025313 0.22710108499588 32.065 > 93 94 S 0.72976854994782 0.23607813025313 0.22710108499588 32.065 > 93 95 S 0.22976854994782 0.23607813025313 0.72710108499588 32.065 > 93 96 S 0.72976854994782 0.23607813025313 0.72710108499588 32.065 > 93 97 S 0.08462506216996 0.52450859425597 0.43939131313798 32.065 > 97 98 S 0.58462506216996 0.52450859425597 0.43939131313798 32.065 > 97 99 S 0.08462506216996 0.52450859425597 0.93939131313798 32.065 > 97 100 S 0.58462506216996 0.52450859425597 0.93939131313798 32.065 > 97 101 S 0.21071950177943 0.00792586509156 0.39171153308919 32.065 > 101 102 S 0.71071950177943 0.00792586509156 0.39171153308919 32.065 > 101 103 S 0.21071950177943 0.00792586509156 0.89171153308919 32.065 > 101 104 S 0.71071950177943 0.00792586509156 0.89171153308919 32.065 > 101 105 S 0.42987499237199 0.62028303676778 0.24898257045081 32.065 > 105 106 S 0.92987499237199 0.62028303676778 0.24898257045081 32.065 > 105 107 S 0.42987499237199 0.62028303676778 0.74898257045081 32.065 > 105 108 S 0.92987499237199 0.62028303676778 0.74898257045081 32.065 > 105 109 S 0.21071950177943 0.49207413490844 0.14171153308919 32.065 > 109 110 S 0.71071950177943 0.49207413490844 0.14171153308919 32.065 > 109 111 S 0.21071950177943 0.49207413490844 0.64171153308919 32.065 > 109 112 S 0.71071950177943 0.49207413490844 0.64171153308919 32.065 > 109 113 S 0.28928049822057 0.99207413490844 0.10828846691081 32.065 > 113 114 S 0.78928049822057 0.99207413490844 0.10828846691081 32.065 > 113 115 S 0.28928049822057 0.99207413490844 0.60828846691081 32.065 > 113 116 S 0.78928049822057 0.99207413490844 0.60828846691081 32.065 > 113 117 S 0.42987499237199 0.87971696323222 0.49898257045081 32.065 > 117 118 S 0.92987499237199 0.87971696323222 0.49898257045081 32.065 > 117 119 S 0.42987499237199 0.87971696323222 0.99898257045081 32.065 > 117 120 S 0.92987499237199 0.87971696323222 0.99898257045081 32.065 > 117 121 S 0.22976854994782 0.26392186974687 0.47710108499588 32.065 > 121 122 S 0.72976854994782 0.26392186974687 0.47710108499588 32.065 > 121 123 S 0.22976854994782 0.26392186974687 0.97710108499588 32.065 > 121 124 S 0.72976854994782 0.26392186974687 0.97710108499588 32.065 > 121 125 S 0.27023145005218 0.73607813025313 0.02289891500412 32.065 > 125 126 S 0.77023145005218 0.73607813025313 0.02289891500412 32.065 > 125 127 S 0.27023145005218 0.73607813025313 0.52289891500412 32.065 > 125 128 S 0.77023145005218 0.73607813025313 0.52289891500412 32.065 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.9195310 0.0000000 -0.1132758 0.0000000 8.0292052 0.0000000 -0.1122767 0.0000000 7.2298227 -------------------------- Born effective charges -------------------------- 1 La 4.4210929 0.0166379 -0.1035102 -0.3992041 4.4649979 -0.3362305 -0.0967861 -0.5060107 4.1421611 2 La 4.2051781 0.0868828 0.0486500 0.2539398 4.4827223 -0.1085159 -0.0978039 -0.0532511 4.2245420 3 La 4.2051781 -0.0868828 0.0486500 -0.2539398 4.4827223 0.1085159 -0.0978039 0.0532511 4.2245420 4 La 4.2051781 -0.0868828 0.0486500 -0.2539398 4.4827223 0.1085159 -0.0978039 0.0532511 4.2245420 5 La 4.4210929 0.0166379 -0.1035102 -0.3992041 4.4649979 -0.3362305 -0.0967861 -0.5060107 4.1421611 6 La 4.2051781 0.0868828 0.0486500 0.2539398 4.4827223 -0.1085159 -0.0978039 -0.0532511 4.2245420 7 La 4.4210929 -0.0166379 -0.1035102 0.3992041 4.4649979 0.3362305 -0.0967861 0.5060107 4.1421611 8 La 4.4210929 -0.0166379 -0.1035102 0.3992041 4.4649979 0.3362305 -0.0967861 0.5060107 4.1421611 9 Ge 2.8619918 0.1035899 -0.1437520 -0.0680841 3.1549321 -0.2596585 0.1934783 -0.0291035 2.5702527 10 Ge 2.8619918 -0.1035899 -0.1437520 0.0680841 3.1549321 0.2596585 0.1934783 0.0291035 2.5702527 11 Ge 2.8619918 0.1035899 -0.1437520 -0.0680841 3.1549321 -0.2596585 0.1934783 -0.0291035 2.5702527 12 Ge 2.8619918 -0.1035899 -0.1437520 0.0680841 3.1549321 0.2596585 0.1934783 0.0291035 2.5702527 13 S -2.5755508 0.5014313 0.5041049 0.4808623 -2.1811318 -0.0215162 0.3922755 -0.1198790 -2.5230970 14 S -1.8815810 0.0899385 -0.1271236 0.1812560 -1.8705366 -0.3016203 -0.2639922 -0.2505584 -2.3416113 15 S -2.2256830 -0.2348468 0.0909784 -0.3975760 -1.8962803 0.2321123 0.0566742 0.2083726 -1.5463407 16 S -1.8815810 -0.0899385 -0.1271236 -0.1812560 -1.8705366 0.3016203 -0.2639922 0.2505584 -2.3416113 17 S -2.5755508 -0.5014313 0.5041049 -0.4808623 -2.1811318 0.0215162 0.3922755 0.1198790 -2.5230970 18 S -2.5755508 0.5014313 0.5041049 0.4808623 -2.1811318 -0.0215162 0.3922755 -0.1198790 -2.5230970 19 S -2.5755508 -0.5014313 0.5041049 -0.4808623 -2.1811318 0.0215162 0.3922755 0.1198790 -2.5230970 20 S -2.8480168 -0.1374551 0.1515862 -0.1517147 -3.7146114 0.1250328 0.2572894 -0.0296164 -2.3458441 21 S -1.8815810 0.0899385 -0.1271236 0.1812560 -1.8705366 -0.3016203 -0.2639922 -0.2505584 -2.3416113 22 S -2.8480168 0.1374551 0.1515862 0.1517147 -3.7146114 -0.1250328 0.2572894 0.0296164 -2.3458441 23 S -1.9574313 0.3611871 -0.4209337 0.3145023 -2.4400922 0.3723600 -0.4411353 0.2641462 -2.1800627 24 S -2.2256830 -0.2348468 0.0909784 -0.3975760 -1.8962803 0.2321123 0.0566742 0.2083726 -1.5463407 25 S -1.8815810 -0.0899385 -0.1271236 -0.1812560 -1.8705366 0.3016203 -0.2639922 0.2505584 -2.3416113 26 S -1.9574313 -0.3611871 -0.4209337 -0.3145023 -2.4400922 -0.3723600 -0.4411353 -0.2641462 -2.1800627 27 S -2.8480168 0.1374551 0.1515862 0.1517147 -3.7146114 -0.1250328 0.2572894 0.0296164 -2.3458441 28 S -1.9574313 0.3611871 -0.4209337 0.3145023 -2.4400922 0.3723600 -0.4411353 0.2641462 -2.1800627 29 S -1.9574313 -0.3611871 -0.4209337 -0.3145023 -2.4400922 -0.3723600 -0.4411353 -0.2641462 -2.1800627 30 S -2.8480168 -0.1374551 0.1515862 -0.1517147 -3.7146114 0.1250328 0.2572894 -0.0296164 -2.3458441 31 S -2.2256830 0.2348468 0.0909784 0.3975760 -1.8962803 -0.2321123 0.0566742 -0.2083726 -1.5463407 32 S -2.2256830 0.2348468 0.0909784 0.3975760 -1.8962803 -0.2321123 0.0566742 -0.2083726 -1.5463407 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 4 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.46, Number of G-points: 307, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.535 ( 0.000 0.000 0.000) 0.000 1.785 ( 0.000 0.000 0.000) 0.000 1.859 ( 0.000 0.000 0.000) 0.000 1.875 ( 0.000 0.000 0.000) 0.000 2.029 ( 0.000 0.000 0.000) 0.000 2.104 ( 0.000 0.000 0.000) 0.000 2.145 ( 0.000 0.000 0.000) 0.000 2.238 ( 0.000 0.000 0.000) 0.000 2.502 ( 0.000 0.000 0.000) 0.000 2.528 ( 0.000 0.000 0.000) 0.000 2.539 ( 0.000 0.000 0.000) 0.000 2.546 ( 0.000 0.000 0.000) 0.000 2.742 ( 0.000 0.000 0.000) 0.000 2.825 ( 0.000 0.000 0.000) 0.000 2.836 ( 0.000 0.000 0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 2.992 ( 0.000 0.000 0.000) 0.000 3.146 ( 0.000 0.000 0.000) 0.000 3.160 ( 0.000 0.000 0.000) 0.000 3.168 ( 0.000 0.000 0.000) 0.000 3.360 ( 0.000 0.000 0.000) 0.000 3.412 ( 0.000 0.000 0.000) 0.000 3.449 ( 0.000 0.000 0.000) 0.000 3.480 ( 0.000 0.000 0.000) 0.000 3.582 ( 0.000 0.000 0.000) 0.000 3.616 ( 0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 0.000) 0.000 3.795 ( 0.000 0.000 0.000) 0.000 3.830 ( 0.000 0.000 0.000) 0.000 4.043 ( 0.000 0.000 0.000) 0.000 4.091 ( 0.000 0.000 0.000) 0.000 4.108 ( 0.000 0.000 0.000) 0.000 4.221 ( 0.000 0.000 0.000) 0.000 4.519 ( 0.000 0.000 0.000) 0.000 4.609 ( 0.000 0.000 0.000) 0.000 4.630 ( 0.000 0.000 0.000) 0.000 4.708 ( 0.000 0.000 0.000) 0.000 4.805 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 5.001 ( 0.000 0.000 0.000) 0.000 5.081 ( 0.000 0.000 0.000) 0.000 5.152 ( 0.000 0.000 0.000) 0.000 5.210 ( 0.000 0.000 0.000) 0.000 5.261 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.463 ( 0.000 0.000 0.000) 0.000 5.503 ( 0.000 0.000 0.000) 0.000 5.517 ( 0.000 0.000 0.000) 0.000 5.569 ( 0.000 0.000 0.000) 0.000 5.740 ( 0.000 0.000 0.000) 0.000 5.874 ( 0.000 0.000 0.000) 0.000 5.916 ( 0.000 0.000 0.000) 0.000 6.002 ( 0.000 0.000 0.000) 0.000 6.084 ( 0.000 0.000 0.000) 0.000 6.151 ( 0.000 0.000 0.000) 0.000 6.287 ( 0.000 0.000 0.000) 0.000 6.296 ( 0.000 0.000 0.000) 0.000 6.327 ( 0.000 0.000 0.000) 0.000 6.377 ( 0.000 0.000 0.000) 0.000 6.543 ( 0.000 0.000 0.000) 0.000 6.619 ( 0.000 0.000 0.000) 0.000 6.652 ( 0.000 0.000 0.000) 0.000 6.673 ( 0.000 0.000 0.000) 0.000 6.730 ( 0.000 0.000 0.000) 0.000 6.745 ( 0.000 0.000 0.000) 0.000 6.814 ( 0.000 0.000 0.000) 0.000 6.946 ( 0.000 0.000 0.000) 0.000 6.997 ( 0.000 0.000 0.000) 0.000 7.145 ( 0.000 0.000 0.000) 0.000 7.226 ( 0.000 0.000 0.000) 0.000 7.384 ( 0.000 0.000 0.000) 0.000 7.414 ( 0.000 0.000 0.000) 0.000 7.477 ( 0.000 0.000 0.000) 0.000 8.170 ( 0.000 0.000 0.000) 0.000 8.411 ( 0.000 0.000 0.000) 0.000 8.572 ( 0.000 0.000 0.000) 0.000 8.589 ( 0.000 0.000 0.000) 0.000 10.223 ( 0.000 0.000 0.000) 0.000 10.239 ( 0.000 0.000 0.000) 0.000 10.268 ( 0.000 0.000 0.000) 0.000 10.287 ( 0.000 0.000 0.000) 0.000 10.341 ( 0.000 0.000 0.000) 0.000 10.399 ( 0.000 0.000 0.000) 0.000 10.408 ( 0.000 0.000 0.000) 0.000 10.452 ( 0.000 0.000 0.000) 0.000 11.499 ( 0.000 0.000 0.000) 0.000 11.539 ( 0.000 0.000 0.000) 0.000 11.598 ( 0.000 0.000 0.000) 0.000 11.653 ( 0.000 0.000 0.000) 0.000 12.153 ( 0.000 0.000 0.000) 0.000 12.382 ( 0.000 0.000 0.000) 0.000 12.547 ( 0.000 0.000 0.000) 0.000 12.605 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 22.302 0.000 11.222) 24.966 0.534 ( 25.777 0.000 6.934) 26.694 0.849 ( 43.025 0.000 1.082) 43.038 1.580 ( 3.838 0.000 3.358) 5.100 1.815 ( 2.930 0.000 -1.637) 3.356 1.882 ( 1.382 0.000 -2.723) 3.054 1.886 ( 3.634 0.000 -1.938) 4.118 2.050 ( 1.425 0.000 0.906) 1.688 2.092 ( -3.084 0.000 -2.559) 4.007 2.138 ( -0.067 0.000 2.003) 2.004 2.213 ( -2.210 0.000 -0.379) 2.243 2.413 ( -5.706 0.000 -3.163) 6.524 2.476 ( -4.686 0.000 -4.271) 6.340 2.519 ( -3.746 0.000 -2.905) 4.741 2.553 ( 1.074 0.000 3.363) 3.531 2.676 ( -5.439 0.000 -1.716) 5.703 2.786 ( -5.083 0.000 0.994) 5.180 2.826 ( -0.826 0.000 1.561) 1.766 2.928 ( 3.095 0.000 1.379) 3.388 2.957 ( -2.083 0.000 -5.664) 6.035 3.153 ( -2.744 0.000 1.821) 3.293 3.156 ( 0.175 0.000 1.835) 1.843 3.289 ( -1.824 0.000 7.742) 7.954 3.335 ( -3.180 0.000 2.564) 4.084 3.404 ( -1.262 0.000 2.166) 2.507 3.472 ( -3.288 0.000 0.177) 3.293 3.489 ( 3.116 0.000 0.070) 3.117 3.612 ( 2.615 0.000 1.439) 2.985 3.675 ( -2.992 0.000 0.392) 3.017 3.698 ( -4.756 0.000 3.532) 5.924 3.769 ( 0.027 0.000 1.510) 1.510 3.800 ( 0.201 0.000 -2.703) 2.711 4.029 ( -1.734 0.000 0.603) 1.836 4.110 ( 0.790 0.000 -0.581) 0.981 4.185 ( 6.657 0.000 -0.841) 6.710 4.267 ( -2.394 0.000 -8.478) 8.810 4.541 ( 1.834 0.000 1.755) 2.539 4.587 ( -2.242 0.000 -2.253) 3.178 4.642 ( 1.492 0.000 -0.826) 1.705 4.702 ( -0.176 0.000 -1.522) 1.532 4.815 ( 0.941 0.000 -0.636) 1.136 4.827 ( 1.118 0.000 -0.676) 1.306 5.040 ( 3.625 0.000 -4.114) 5.483 5.084 ( -0.702 0.000 3.106) 3.185 5.153 ( 0.136 0.000 -1.534) 1.540 5.195 ( -1.348 0.000 1.584) 2.080 5.236 ( -1.563 0.000 -2.772) 3.182 5.393 ( 0.634 0.000 2.270) 2.356 5.511 ( 2.611 0.000 4.484) 5.189 5.520 ( -1.600 0.000 4.947) 5.200 5.534 ( 1.331 0.000 1.257) 1.831 5.623 ( 1.399 0.000 3.426) 3.700 5.815 ( 1.031 0.000 -0.057) 1.033 5.891 ( 1.148 0.000 1.595) 1.965 5.933 ( 2.005 0.000 -3.740) 4.243 6.022 ( -4.077 0.000 7.989) 8.969 6.113 ( -4.167 0.000 -0.684) 4.223 6.117 ( 0.738 0.000 4.023) 4.090 6.210 ( -3.210 0.000 -1.392) 3.499 6.320 ( -0.605 0.000 -1.074) 1.233 6.333 ( -1.407 0.000 -0.180) 1.419 6.420 ( 1.432 0.000 -2.009) 2.467 6.513 ( -2.605 0.000 1.357) 2.937 6.627 ( -0.229 0.000 2.022) 2.035 6.633 ( -1.520 0.000 1.486) 2.126 6.738 ( 0.119 0.000 -2.500) 2.503 6.762 ( 2.855 0.000 -2.497) 3.793 6.786 ( -0.817 0.000 -1.531) 1.736 6.948 ( -3.428 0.000 -0.242) 3.436 6.958 ( 0.639 0.000 2.397) 2.481 7.120 ( -1.664 0.000 -0.889) 1.886 7.251 ( 1.543 0.000 0.669) 1.682 7.348 ( -1.438 0.000 0.060) 1.439 7.467 ( 3.678 0.000 0.195) 3.683 7.467 ( -0.932 0.000 -0.080) 0.936 7.655 ( -3.265 0.000 -3.544) 4.818 8.182 ( 1.601 0.000 -2.321) 2.819 8.544 ( -2.158 0.000 -2.211) 3.089 8.573 ( -1.850 0.000 1.245) 2.230 8.646 ( 0.725 0.000 -11.949) 11.971 10.215 ( -0.612 0.000 0.118) 0.623 10.251 ( 0.787 0.000 0.329) 0.853 10.278 ( 0.666 0.000 0.555) 0.867 10.322 ( -1.233 0.000 -0.658) 1.397 10.378 ( -1.582 0.000 -0.499) 1.659 10.411 ( -0.083 0.000 -0.517) 0.524 10.432 ( 1.227 0.000 -2.601) 2.876 10.519 ( 4.177 0.000 -16.733) 17.246 11.493 ( -0.325 0.000 0.168) 0.366 11.629 ( 2.453 0.000 1.068) 2.675 11.667 ( 1.633 0.000 -0.977) 1.903 11.953 ( -5.389 0.000 20.473) 21.170 12.154 ( 0.023 0.000 0.260) 0.261 12.381 ( -0.034 0.000 -0.259) 0.261 12.527 ( -1.878 0.000 -0.205) 1.889 12.597 ( -0.795 0.000 -0.265) 0.838 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 20.082 0.000 10.736) 22.771 1.003 ( 20.874 0.000 4.757) 21.409 1.548 ( 25.708 0.000 -2.193) 25.801 1.688 ( 5.092 0.000 5.182) 7.266 1.887 ( 4.797 0.000 0.686) 4.845 1.903 ( 0.790 0.000 -0.136) 0.802 1.943 ( -1.767 0.000 -9.205) 9.373 2.033 ( 6.317 0.000 0.295) 6.324 2.057 ( -0.159 0.000 -2.131) 2.137 2.161 ( 2.974 0.000 1.005) 3.140 2.195 ( 1.808 0.000 -0.086) 1.811 2.334 ( -1.148 0.000 -3.466) 3.651 2.363 ( -4.704 0.000 -1.979) 5.104 2.395 ( -6.817 0.000 -4.258) 8.038 2.537 ( -8.062 0.000 -4.286) 9.130 2.588 ( 1.153 0.000 -0.875) 1.448 2.708 ( -2.901 0.000 6.034) 6.695 2.773 ( -4.320 0.000 -1.452) 4.557 2.931 ( 0.592 0.000 -1.955) 2.043 2.998 ( 2.251 0.000 2.039) 3.037 3.053 ( -7.607 0.000 1.492) 7.752 3.158 ( -0.713 0.000 3.955) 4.019 3.267 ( -5.146 0.000 4.721) 6.983 3.268 ( -1.945 0.000 -0.291) 1.967 3.386 ( -1.387 0.000 2.706) 3.041 3.406 ( -3.265 0.000 0.287) 3.278 3.522 ( 0.310 0.000 -1.030) 1.075 3.580 ( -5.605 0.000 -2.516) 6.144 3.624 ( -2.511 0.000 3.327) 4.169 3.699 ( 3.355 0.000 1.618) 3.725 3.766 ( -1.722 0.000 -3.175) 3.612 3.817 ( 2.087 0.000 0.774) 2.226 3.972 ( -4.685 0.000 0.577) 4.720 4.149 ( 3.831 0.000 -0.482) 3.861 4.172 ( -4.943 0.000 -1.063) 5.056 4.277 ( 2.736 0.000 0.596) 2.800 4.536 ( -2.193 0.000 -1.046) 2.430 4.581 ( 1.275 0.000 0.864) 1.540 4.686 ( 3.130 0.000 0.468) 3.165 4.695 ( 0.046 0.000 -1.284) 1.285 4.830 ( 0.830 0.000 -0.936) 1.251 4.855 ( 1.980 0.000 -0.535) 2.051 5.039 ( -1.748 0.000 0.837) 1.938 5.107 ( 1.441 0.000 -2.158) 2.594 5.141 ( -0.540 0.000 -1.823) 1.902 5.202 ( -1.006 0.000 -1.999) 2.238 5.212 ( 2.626 0.000 2.038) 3.324 5.439 ( 2.783 0.000 2.966) 4.067 5.532 ( 0.339 0.000 5.070) 5.081 5.567 ( 1.996 0.000 -0.186) 2.004 5.574 ( 1.944 0.000 5.080) 5.440 5.634 ( -0.575 0.000 -0.869) 1.042 5.840 ( 1.730 0.000 -0.940) 1.969 5.902 ( -1.492 0.000 3.062) 3.406 5.942 ( 0.192 0.000 -4.591) 4.595 6.000 ( 0.284 0.000 0.629) 0.690 6.015 ( -4.865 0.000 -0.598) 4.901 6.139 ( 0.915 0.000 1.305) 1.594 6.179 ( -0.196 0.000 -1.207) 1.223 6.296 ( -1.548 0.000 -0.504) 1.628 6.297 ( -2.113 0.000 -0.854) 2.279 6.393 ( -1.818 0.000 -2.815) 3.351 6.471 ( -2.288 0.000 -0.826) 2.432 6.562 ( -3.836 0.000 0.001) 3.836 6.656 ( -4.257 0.000 0.497) 4.286 6.701 ( 3.567 0.000 3.942) 5.316 6.810 ( 0.787 0.000 -4.353) 4.424 6.818 ( 3.988 0.000 -2.055) 4.486 6.914 ( 0.272 0.000 2.408) 2.423 6.977 ( -0.212 0.000 3.453) 3.460 7.086 ( -1.324 0.000 -1.729) 2.178 7.267 ( -0.177 0.000 0.305) 0.352 7.315 ( -2.308 0.000 0.507) 2.363 7.445 ( -1.219 0.000 -0.097) 1.223 7.497 ( -1.482 0.000 -1.208) 1.912 7.599 ( -0.511 0.000 1.316) 1.412 8.206 ( 1.650 0.000 -2.341) 2.865 8.494 ( -1.859 0.000 -2.130) 2.827 8.535 ( -2.444 0.000 1.107) 2.683 8.609 ( -1.081 0.000 -4.927) 5.044 10.207 ( -0.289 0.000 0.437) 0.524 10.245 ( -1.470 0.000 -0.203) 1.484 10.291 ( 0.521 0.000 0.334) 0.618 10.320 ( 1.041 0.000 0.523) 1.165 10.344 ( -1.657 0.000 -0.444) 1.715 10.402 ( -0.475 0.000 -0.752) 0.889 10.442 ( 0.500 0.000 -0.650) 0.820 10.538 ( 2.200 0.000 -6.009) 6.399 11.494 ( 0.212 0.000 0.386) 0.441 11.680 ( 2.173 0.000 1.046) 2.412 11.704 ( 2.755 0.000 -1.794) 3.288 11.917 ( -4.183 0.000 8.913) 9.845 12.156 ( 0.058 0.000 0.350) 0.354 12.379 ( -0.012 0.000 -0.401) 0.401 12.486 ( -2.035 0.000 -0.312) 2.059 12.577 ( -1.003 0.000 -0.355) 1.064 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 14.040 0.000 8.559) 16.443 1.327 ( 10.687 0.000 1.601) 10.806 1.694 ( -5.813 0.000 -7.364) 9.382 1.736 ( -2.534 0.000 1.043) 2.740 1.783 ( -1.607 0.000 -1.424) 2.147 1.932 ( 2.953 0.000 4.697) 5.548 2.022 ( 4.279 0.000 -2.178) 4.802 2.112 ( 6.568 0.000 -0.430) 6.583 2.117 ( -0.090 0.000 1.130) 1.134 2.224 ( -3.703 0.000 -6.723) 7.675 2.245 ( -1.196 0.000 -1.346) 1.801 2.260 ( 0.418 0.000 -0.924) 1.014 2.329 ( -4.253 0.000 -0.488) 4.281 2.374 ( -3.458 0.000 -1.101) 3.629 2.534 ( 21.637 0.000 1.846) 21.716 2.574 ( -0.270 0.000 -0.857) 0.898 2.709 ( -0.779 0.000 -1.799) 1.961 2.741 ( 2.322 0.000 3.788) 4.444 2.845 ( -7.018 0.000 1.111) 7.106 2.972 ( -4.891 0.000 2.950) 5.712 3.016 ( 2.165 0.000 -0.593) 2.245 3.121 ( -7.795 0.000 -1.899) 8.023 3.190 ( -3.729 0.000 2.646) 4.572 3.250 ( 1.925 0.000 1.942) 2.735 3.354 ( -2.022 0.000 -0.551) 2.096 3.376 ( -0.447 0.000 1.299) 1.374 3.457 ( -4.033 0.000 -2.276) 4.631 3.514 ( -0.304 0.000 -0.494) 0.580 3.610 ( -0.353 0.000 0.785) 0.861 3.685 ( -1.259 0.000 -2.340) 2.657 3.799 ( 2.022 0.000 2.076) 2.898 3.837 ( 0.127 0.000 0.446) 0.464 3.882 ( -3.424 0.000 0.247) 3.433 4.098 ( -2.160 0.000 -0.491) 2.215 4.234 ( 4.528 0.000 -0.760) 4.591 4.292 ( -1.475 0.000 1.192) 1.896 4.504 ( -0.804 0.000 -0.486) 0.940 4.594 ( 0.174 0.000 -0.064) 0.186 4.694 ( 0.084 0.000 -0.404) 0.413 4.741 ( 1.698 0.000 0.713) 1.842 4.836 ( 0.172 0.000 -0.389) 0.426 4.888 ( 1.190 0.000 -0.139) 1.198 5.018 ( -0.639 0.000 0.760) 0.993 5.116 ( 0.418 0.000 -0.963) 1.050 5.128 ( -0.205 0.000 -0.803) 0.829 5.180 ( -0.613 0.000 -0.569) 0.837 5.269 ( 1.891 0.000 0.505) 1.958 5.497 ( 1.655 0.000 1.643) 2.332 5.560 ( 0.442 0.000 6.043) 6.059 5.598 ( 1.669 0.000 -2.126) 2.703 5.604 ( -1.180 0.000 -4.570) 4.720 5.618 ( 0.444 0.000 3.633) 3.660 5.868 ( 1.227 0.000 -0.612) 1.371 5.877 ( -1.220 0.000 1.215) 1.721 5.908 ( -1.488 0.000 -1.627) 2.205 5.956 ( -1.188 0.000 -0.626) 1.343 6.009 ( 0.060 0.000 0.042) 0.073 6.176 ( 2.644 0.000 0.186) 2.650 6.180 ( 0.442 0.000 -0.711) 0.837 6.251 ( -1.838 0.000 -0.620) 1.940 6.257 ( -2.507 0.000 0.123) 2.510 6.367 ( -0.218 0.000 -0.987) 1.011 6.416 ( -2.075 0.000 -1.526) 2.576 6.502 ( -1.961 0.000 -0.029) 1.961 6.642 ( 1.374 0.000 2.340) 2.714 6.763 ( -2.846 0.000 -2.434) 3.745 6.772 ( 2.331 0.000 1.562) 2.806 6.879 ( 2.269 0.000 -0.792) 2.404 6.958 ( 2.035 0.000 0.808) 2.189 6.965 ( -1.641 0.000 1.850) 2.473 7.067 ( -0.107 0.000 -1.066) 1.072 7.255 ( -0.723 0.000 0.053) 0.725 7.271 ( -1.896 0.000 0.123) 1.900 7.427 ( -0.541 0.000 -0.030) 0.542 7.452 ( -1.435 0.000 -0.753) 1.621 7.615 ( 0.631 0.000 0.889) 1.090 8.223 ( 0.687 0.000 -0.911) 1.140 8.468 ( -0.182 0.000 -1.260) 1.273 8.498 ( -1.481 0.000 0.859) 1.712 8.578 ( -0.640 0.000 -1.490) 1.622 10.206 ( -0.038 0.000 0.257) 0.260 10.218 ( -0.847 0.000 -0.131) 0.857 10.301 ( 0.484 0.000 0.072) 0.490 10.317 ( -1.004 0.000 -0.161) 1.017 10.341 ( 0.614 0.000 0.436) 0.753 10.392 ( -0.255 0.000 -0.356) 0.438 10.447 ( 0.177 0.000 -0.273) 0.326 10.552 ( 0.717 0.000 -1.586) 1.740 11.500 ( 0.178 0.000 0.193) 0.262 11.711 ( 0.795 0.000 0.409) 0.894 11.749 ( 2.201 0.000 -1.618) 2.732 11.871 ( -2.656 0.000 3.573) 4.452 12.158 ( 0.039 0.000 0.166) 0.171 12.378 ( 0.018 0.000 -0.224) 0.225 12.457 ( -0.819 0.000 -0.087) 0.823 12.562 ( -0.451 0.000 -0.168) 0.481 ======================= Grid point 7 (5/75) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 0.000 23.599 0.000) 23.599 0.548 ( 0.000 27.068 0.000) 27.068 0.932 ( 0.000 45.976 0.000) 45.976 1.317 ( 0.000 -17.305 0.000) 17.305 1.501 ( 0.000 -19.659 0.000) 19.659 1.967 ( 0.000 6.432 0.000) 6.432 2.011 ( 0.000 -1.286 0.000) 1.286 2.070 ( 0.000 9.943 0.000) 9.943 2.149 ( 0.000 0.945 0.000) 0.945 2.170 ( 0.000 4.555 0.000) 4.555 2.262 ( 0.000 1.734 0.000) 1.734 2.424 ( 0.000 -13.143 0.000) 13.143 2.490 ( 0.000 -1.688 0.000) 1.688 2.517 ( 0.000 -6.220 0.000) 6.220 2.550 ( 0.000 1.670 0.000) 1.670 2.773 ( 0.000 -12.512 0.000) 12.512 2.778 ( 0.000 -4.104 0.000) 4.104 2.778 ( 0.000 3.010 0.000) 3.010 2.895 ( 0.000 2.616 0.000) 2.616 2.978 ( 0.000 6.893 0.000) 6.893 3.123 ( 0.000 -1.090 0.000) 1.090 3.141 ( 0.000 -1.214 0.000) 1.214 3.229 ( 0.000 -6.253 0.000) 6.253 3.262 ( 0.000 -3.159 0.000) 3.159 3.371 ( 0.000 -4.753 0.000) 4.753 3.407 ( 0.000 2.723 0.000) 2.723 3.507 ( 0.000 -8.190 0.000) 8.190 3.566 ( 0.000 -2.001 0.000) 2.001 3.650 ( 0.000 3.250 0.000) 3.250 3.748 ( 0.000 -5.087 0.000) 5.087 3.809 ( 0.000 0.512 0.000) 0.512 3.824 ( 0.000 6.821 0.000) 6.821 4.021 ( 0.000 -3.027 0.000) 3.027 4.069 ( 0.000 0.514 0.000) 0.514 4.250 ( 0.000 4.448 0.000) 4.448 4.280 ( 0.000 3.285 0.000) 3.285 4.567 ( 0.000 3.080 0.000) 3.080 4.588 ( 0.000 0.170 0.000) 0.170 4.691 ( 0.000 2.435 0.000) 2.435 4.697 ( 0.000 -0.938 0.000) 0.938 4.817 ( 0.000 0.798 0.000) 0.798 4.821 ( 0.000 0.238 0.000) 0.238 5.009 ( 0.000 0.956 0.000) 0.956 5.074 ( 0.000 -1.401 0.000) 1.401 5.149 ( 0.000 -1.560 0.000) 1.560 5.153 ( 0.000 -0.023 0.000) 0.023 5.336 ( 0.000 3.973 0.000) 3.973 5.409 ( 0.000 0.002 0.000) 0.002 5.475 ( 0.000 1.081 0.000) 1.081 5.508 ( 0.000 0.638 0.000) 0.638 5.519 ( 0.000 -0.671 0.000) 0.671 5.560 ( 0.000 -0.920 0.000) 0.920 5.773 ( 0.000 2.862 0.000) 2.862 5.860 ( 0.000 -1.142 0.000) 1.142 5.925 ( 0.000 0.666 0.000) 0.666 5.980 ( 0.000 -1.869 0.000) 1.869 6.076 ( 0.000 -0.563 0.000) 0.563 6.114 ( 0.000 -2.628 0.000) 2.628 6.289 ( 0.000 1.216 0.000) 1.216 6.339 ( 0.000 -0.801 0.000) 0.801 6.370 ( 0.000 5.196 0.000) 5.196 6.486 ( 0.000 2.524 0.000) 2.524 6.563 ( 0.000 1.770 0.000) 1.770 6.576 ( 0.000 -4.038 0.000) 4.038 6.626 ( 0.000 -2.832 0.000) 2.832 6.651 ( 0.000 -1.856 0.000) 1.856 6.728 ( 0.000 -0.689 0.000) 0.689 6.792 ( 0.000 -2.358 0.000) 2.358 6.958 ( 0.000 0.937 0.000) 0.937 6.970 ( 0.000 -0.532 0.000) 0.532 7.093 ( 0.000 2.777 0.000) 2.777 7.195 ( 0.000 -3.029 0.000) 3.029 7.432 ( 0.000 5.553 0.000) 5.553 7.450 ( 0.000 3.430 0.000) 3.430 7.551 ( 0.000 5.246 0.000) 5.246 7.793 ( 0.000 -4.767 0.000) 4.767 8.135 ( 0.000 -2.894 0.000) 2.894 8.231 ( 0.000 -10.215 0.000) 10.215 8.792 ( 0.000 12.941 0.000) 12.941 9.205 ( 0.000 -6.261 0.000) 6.261 10.242 ( 0.000 0.290 0.000) 0.290 10.259 ( 0.000 -0.547 0.000) 0.547 10.307 ( 0.000 1.564 0.000) 1.564 10.343 ( 0.000 0.425 0.000) 0.425 10.369 ( 0.000 -0.789 0.000) 0.789 10.392 ( 0.000 -1.417 0.000) 1.417 10.409 ( 0.000 1.237 0.000) 1.237 10.451 ( 0.000 -0.291 0.000) 0.291 11.512 ( 0.000 1.244 0.000) 1.244 11.555 ( 0.000 1.585 0.000) 1.585 11.581 ( 0.000 -1.583 0.000) 1.583 11.636 ( 0.000 -1.579 0.000) 1.579 12.413 ( 0.000 2.886 0.000) 2.886 12.533 ( 0.000 -1.593 0.000) 1.593 12.546 ( 0.000 0.588 0.000) 0.588 12.588 ( 0.000 -1.447 0.000) 1.447 ======================= Grid point 8 (6/75) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 13.079 16.789 1.236) 21.318 0.682 ( 17.097 16.482 3.717) 24.037 1.297 ( 26.543 30.753 3.644) 40.787 1.375 ( 5.628 -15.117 2.262) 16.288 1.523 ( 3.414 -19.996 -1.773) 20.363 1.961 ( -0.692 6.462 -2.193) 6.859 2.028 ( 1.297 -1.753 -1.428) 2.607 2.072 ( -0.217 6.554 -3.562) 7.463 2.130 ( -0.093 2.299 1.981) 3.036 2.185 ( 1.551 5.352 -0.023) 5.572 2.246 ( -1.770 2.474 -0.568) 3.094 2.387 ( -2.187 -5.631 -2.409) 6.503 2.467 ( -1.947 0.663 -1.104) 2.335 2.512 ( -2.478 -1.359 0.003) 2.827 2.570 ( 2.152 -0.717 -0.469) 2.317 2.683 ( -5.637 0.649 -1.022) 5.766 2.735 ( -3.870 -3.562 -0.551) 5.289 2.846 ( 0.797 -1.540 -0.263) 1.754 2.855 ( 0.927 -9.900 0.370) 9.951 2.928 ( -4.905 2.913 -1.019) 5.795 3.097 ( -4.341 -6.937 0.032) 8.183 3.142 ( 1.104 2.821 1.431) 3.350 3.195 ( 0.236 -6.459 3.107) 7.171 3.284 ( -1.499 -1.419 1.739) 2.699 3.362 ( -1.645 -1.682 2.739) 3.611 3.381 ( -2.055 -0.115 3.051) 3.680 3.499 ( -2.447 -7.766 0.751) 8.177 3.547 ( 0.603 -2.978 -0.967) 3.189 3.684 ( -5.583 1.433 1.703) 6.010 3.737 ( 2.190 -0.641 2.937) 3.720 3.793 ( 0.124 1.068 -1.224) 1.629 3.842 ( 0.050 1.919 -1.011) 2.169 4.000 ( 0.231 1.297 -1.999) 2.394 4.137 ( 2.393 -4.163 -5.549) 7.338 4.239 ( 1.290 7.579 3.010) 8.256 4.303 ( 1.718 3.846 1.786) 4.575 4.540 ( -1.982 1.352 -0.211) 2.408 4.615 ( 2.100 0.642 0.453) 2.242 4.656 ( -2.066 0.802 -1.557) 2.709 4.721 ( 0.740 1.345 -1.373) 2.060 4.807 ( 0.012 -0.051 -0.320) 0.324 4.832 ( 1.013 -0.366 -0.931) 1.424 5.043 ( 3.209 0.307 -2.781) 4.258 5.073 ( 0.293 -1.241 1.262) 1.794 5.128 ( -2.256 -1.328 0.968) 2.792 5.154 ( 0.261 -0.935 -1.153) 1.507 5.319 ( -1.482 4.932 -1.905) 5.491 5.398 ( 0.486 0.373 1.731) 1.836 5.486 ( -0.712 -1.602 4.172) 4.525 5.511 ( 1.077 -0.897 2.063) 2.494 5.554 ( 2.618 1.674 2.407) 3.931 5.609 ( 2.387 -1.025 1.958) 3.253 5.810 ( 2.153 0.610 -0.141) 2.242 5.859 ( -0.274 -1.452 0.790) 1.676 5.944 ( 2.259 0.476 -2.972) 3.764 5.978 ( -0.418 -1.998 1.903) 2.791 6.071 ( -0.668 -1.097 -1.205) 1.761 6.123 ( 0.369 -3.308 0.339) 3.346 6.219 ( -4.451 2.627 -0.408) 5.185 6.298 ( -2.337 -0.821 -1.651) 2.977 6.399 ( 1.559 4.463 0.835) 4.800 6.471 ( -2.322 2.622 -0.719) 3.575 6.500 ( -4.506 -1.338 0.255) 4.707 6.594 ( 1.161 -1.140 2.217) 2.750 6.616 ( -3.037 -0.869 1.411) 3.460 6.707 ( 3.747 -1.482 -3.002) 5.025 6.714 ( 2.893 -2.421 -1.070) 3.921 6.769 ( -3.176 -3.135 -2.572) 5.151 6.962 ( -0.254 1.135 1.268) 1.721 6.974 ( 0.160 1.177 0.753) 1.406 7.109 ( 0.724 0.290 -0.941) 1.222 7.197 ( 0.527 -3.965 0.208) 4.005 7.401 ( -1.840 5.563 0.357) 5.870 7.483 ( 1.405 2.632 0.728) 3.071 7.552 ( 0.370 5.717 0.109) 5.730 7.736 ( -5.147 -0.096 1.068) 5.257 8.146 ( 1.376 -2.891 -1.465) 3.521 8.268 ( 2.792 -12.506 -0.813) 12.840 8.713 ( -6.870 11.925 -1.563) 13.850 8.946 ( -13.540 6.780 -5.492) 16.107 10.223 ( -1.528 0.551 0.866) 1.841 10.241 ( 0.197 -0.465 0.960) 1.085 10.308 ( 0.321 2.000 -1.064) 2.288 10.332 ( -0.362 1.186 -0.092) 1.243 10.368 ( -1.499 -0.958 -0.999) 2.040 10.405 ( 0.177 -0.593 -0.630) 0.883 10.435 ( 1.550 0.356 -2.161) 2.684 10.484 ( 4.064 -2.378 -7.482) 8.840 11.508 ( -0.420 1.392 0.548) 1.554 11.605 ( 1.816 -3.306 2.191) 4.362 11.646 ( 2.991 -0.785 1.092) 3.280 11.717 ( 6.526 -5.988 6.786) 11.158 12.400 ( -5.239 5.430 0.648) 7.573 12.420 ( -3.813 5.951 -0.292) 7.074 12.514 ( -1.983 -1.455 -0.117) 2.462 12.574 ( -1.157 -2.144 -0.283) 2.453 ======================= Grid point 9 (7/75) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 18.681 4.213 6.026) 20.076 1.055 ( 18.765 8.160 3.469) 20.754 1.499 ( 7.701 -13.898 3.253) 16.219 1.624 ( 8.944 -15.417 -0.971) 17.850 1.790 ( 17.664 12.697 -1.194) 21.786 1.907 ( -3.836 2.387 -2.094) 4.980 1.970 ( -5.014 3.435 -5.220) 8.012 2.102 ( 4.255 -0.498 -2.781) 5.107 2.170 ( 1.094 6.674 2.936) 7.373 2.203 ( -1.196 -0.055 -1.873) 2.223 2.245 ( 5.133 9.413 -1.972) 10.902 2.359 ( -0.034 0.434 0.055) 0.439 2.394 ( -7.838 -0.069 -2.697) 8.289 2.435 ( -0.186 5.731 -0.917) 5.807 2.519 ( -5.382 0.526 -3.646) 6.522 2.632 ( -1.559 1.059 -3.647) 4.105 2.681 ( 1.065 0.811 2.988) 3.274 2.809 ( -3.834 0.746 1.822) 4.310 2.831 ( -2.686 -4.035 0.532) 4.877 2.955 ( 4.398 -6.452 1.150) 7.892 3.029 ( -1.191 -6.148 1.346) 6.405 3.125 ( -2.626 -7.345 0.987) 7.863 3.206 ( -2.623 -1.808 3.697) 4.880 3.235 ( -3.208 -1.988 0.754) 3.849 3.341 ( -1.718 -1.088 2.109) 2.929 3.378 ( 0.974 -1.088 4.679) 4.901 3.453 ( -3.281 -4.075 3.572) 6.334 3.544 ( -2.518 2.207 -2.586) 4.231 3.623 ( 0.925 -3.387 1.599) 3.858 3.709 ( -5.951 -5.865 1.540) 8.496 3.764 ( -2.367 1.596 -3.797) 4.750 3.799 ( -2.866 1.957 -1.906) 3.959 4.026 ( 1.929 2.872 -1.102) 3.631 4.090 ( -3.503 -2.847 -1.797) 4.858 4.299 ( 2.417 8.420 2.583) 9.133 4.362 ( 2.778 6.216 0.743) 6.849 4.507 ( -0.980 -0.492 -0.334) 1.146 4.593 ( -2.761 -1.780 -2.275) 3.996 4.672 ( 2.600 1.493 1.649) 3.422 4.725 ( 0.522 0.297 -1.134) 1.284 4.823 ( 1.582 -0.605 -0.750) 1.852 4.847 ( 0.706 -0.921 -0.219) 1.181 5.058 ( 0.210 1.469 -1.152) 1.878 5.089 ( -1.271 -0.523 0.443) 1.444 5.127 ( 3.322 -1.542 -1.224) 3.861 5.153 ( 0.096 -1.745 -0.732) 1.894 5.288 ( -1.094 4.389 0.248) 4.530 5.433 ( 1.496 -1.209 1.484) 2.430 5.498 ( 0.626 -1.268 4.986) 5.182 5.556 ( 2.359 -1.568 3.394) 4.421 5.610 ( 2.085 2.163 0.955) 3.153 5.635 ( 0.170 0.089 -0.686) 0.712 5.829 ( 0.374 -0.756 -0.449) 0.956 5.851 ( -1.161 -2.486 1.241) 3.011 5.963 ( 0.353 0.860 -2.884) 3.030 5.988 ( 0.991 -0.822 0.186) 1.301 6.039 ( -1.499 1.408 -1.684) 2.658 6.127 ( 0.195 -3.042 0.248) 3.058 6.171 ( -0.614 1.997 -0.934) 2.289 6.255 ( -1.676 -1.244 -1.933) 2.845 6.383 ( -3.386 1.344 -0.894) 3.751 6.404 ( -3.956 1.004 -0.731) 4.147 6.460 ( 0.434 1.928 -0.357) 2.008 6.572 ( -1.946 0.337 1.625) 2.557 6.610 ( 0.463 -3.585 0.148) 3.618 6.644 ( -4.958 -1.579 0.582) 5.236 6.789 ( 4.624 -1.056 -1.519) 4.981 6.810 ( 4.783 -1.718 -1.741) 5.373 6.947 ( -1.762 1.143 1.898) 2.831 6.976 ( -0.716 0.262 1.842) 1.994 7.098 ( -0.885 0.871 -1.386) 1.860 7.208 ( 0.148 -4.723 -0.212) 4.730 7.373 ( -1.302 5.863 0.452) 6.023 7.486 ( -1.068 2.947 -0.903) 3.262 7.561 ( -0.527 4.664 1.110) 4.824 7.649 ( -3.390 2.489 1.866) 4.601 8.169 ( 1.528 -2.846 -1.642) 3.624 8.306 ( 1.480 -11.920 -0.755) 12.035 8.588 ( -4.772 7.689 -1.780) 9.222 8.749 ( -6.764 4.014 -2.971) 8.408 10.212 ( -0.091 0.696 0.297) 0.762 10.252 ( 0.051 -0.060 0.336) 0.345 10.287 ( -1.026 0.249 -0.296) 1.097 10.332 ( -1.425 -0.936 -0.463) 1.767 10.345 ( 0.387 1.756 0.379) 1.838 10.397 ( -0.684 -0.495 -0.425) 0.945 10.453 ( 1.087 1.016 -0.969) 1.776 10.520 ( 2.265 -1.659 -4.560) 5.354 11.511 ( 0.351 1.727 0.615) 1.866 11.643 ( 1.722 -3.941 0.641) 4.349 11.704 ( 2.724 0.836 0.426) 2.881 11.815 ( 1.596 -5.430 5.077) 7.603 12.288 ( -4.152 8.122 0.633) 9.143 12.408 ( -0.138 2.807 -0.564) 2.867 12.468 ( -2.384 -1.878 -0.139) 3.039 12.551 ( -1.046 -2.583 -0.343) 2.808 ======================= Grid point 10 (8/75) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 11.700 0.272 5.309) 12.851 1.337 ( 8.233 0.998 0.741) 8.327 1.686 ( 8.061 -1.730 3.631) 9.009 1.755 ( -0.011 -2.172 -0.574) 2.247 1.811 ( -4.957 3.368 -5.022) 7.819 1.865 ( 6.268 -7.719 -0.529) 9.957 1.983 ( 3.033 3.653 0.155) 4.750 2.117 ( -8.035 0.466 -0.063) 8.048 2.157 ( 0.979 -5.026 -1.504) 5.337 2.164 ( -3.429 -2.005 -7.622) 8.595 2.202 ( -3.777 1.480 1.402) 4.293 2.281 ( -1.478 3.295 -1.190) 3.803 2.372 ( -0.492 4.968 -0.035) 4.992 2.401 ( 0.484 1.327 -0.278) 1.439 2.578 ( -1.428 0.665 -0.858) 1.794 2.694 ( 5.133 0.994 -0.382) 5.242 2.706 ( 4.077 3.987 -0.827) 5.762 2.766 ( 4.479 5.387 2.464) 7.426 2.828 ( 3.319 1.834 3.557) 5.199 3.010 ( 2.509 -0.976 -1.298) 2.989 3.040 ( -2.170 3.330 2.643) 4.773 3.064 ( -5.500 -7.689 -1.502) 9.572 3.133 ( -3.586 -1.410 3.490) 5.199 3.216 ( -0.332 -2.207 -0.794) 2.369 3.318 ( -0.287 -2.043 1.558) 2.585 3.378 ( -3.714 -3.347 2.069) 5.411 3.441 ( 2.881 1.065 3.488) 4.647 3.482 ( -1.905 -3.642 -2.884) 5.021 3.562 ( -7.726 -10.190 -2.027) 12.947 3.650 ( -0.468 1.333 0.743) 1.596 3.707 ( -0.837 -0.489 -1.062) 1.438 3.770 ( 0.152 -1.636 -0.341) 1.678 4.025 ( -1.358 -2.326 -1.131) 2.921 4.052 ( 0.108 2.963 0.351) 2.986 4.331 ( 0.248 7.073 0.414) 7.090 4.394 ( 0.828 8.072 0.339) 8.121 4.509 ( 1.068 -0.001 -0.447) 1.157 4.543 ( -1.906 -2.357 -0.425) 3.061 4.717 ( 1.154 -1.165 1.385) 2.146 4.731 ( 0.347 0.051 -0.814) 0.887 4.848 ( 0.974 0.263 -1.185) 1.556 4.856 ( 0.246 -1.563 0.834) 1.788 5.055 ( -0.133 2.717 0.202) 2.727 5.083 ( 0.212 -0.897 -0.532) 1.064 5.151 ( 0.358 0.273 -0.228) 0.504 5.164 ( 0.520 -1.199 -0.926) 1.601 5.284 ( 0.229 1.713 0.667) 1.852 5.445 ( -0.186 -4.629 0.536) 4.664 5.554 ( 2.608 0.576 5.273) 5.911 5.607 ( 0.848 -0.485 1.847) 2.089 5.617 ( -0.826 0.894 -1.490) 1.924 5.632 ( 0.449 1.329 -2.284) 2.680 5.830 ( -0.305 -2.198 0.221) 2.230 5.833 ( -0.490 -2.180 0.012) 2.234 5.951 ( -0.151 2.691 -1.017) 2.881 5.996 ( -0.227 1.788 -0.256) 1.821 6.023 ( 0.087 1.271 -0.602) 1.409 6.134 ( 0.347 -3.278 -0.360) 3.316 6.176 ( 1.374 -0.018 -0.393) 1.429 6.213 ( -1.918 -1.111 -1.299) 2.569 6.312 ( -2.948 1.492 0.300) 3.318 6.356 ( -0.654 -0.914 -1.018) 1.517 6.460 ( 0.040 4.196 -0.768) 4.266 6.521 ( -2.986 1.697 0.825) 3.532 6.614 ( 1.163 -2.347 1.494) 3.015 6.635 ( 0.648 -5.189 -0.441) 5.247 6.845 ( 0.733 1.566 -0.660) 1.851 6.869 ( 2.176 -0.923 -0.952) 2.548 6.935 ( 0.111 -1.559 1.292) 2.028 6.957 ( -1.408 -1.032 1.304) 2.178 7.082 ( -0.259 1.444 -0.876) 1.709 7.202 ( -0.418 -4.216 -0.095) 4.238 7.356 ( -0.593 7.258 0.211) 7.285 7.451 ( -1.390 2.212 -0.828) 2.740 7.541 ( -0.966 6.110 0.586) 6.213 7.633 ( -0.042 1.035 0.961) 1.413 8.186 ( 0.655 -2.760 -0.651) 2.911 8.322 ( 0.524 -10.601 -0.343) 10.619 8.525 ( -1.489 4.858 -0.614) 5.118 8.654 ( -2.435 1.763 -0.964) 3.157 10.217 ( 0.614 1.221 -0.192) 1.380 10.236 ( -1.212 1.465 0.264) 1.920 10.287 ( 0.675 -1.243 -0.158) 1.423 10.305 ( -1.114 -1.155 0.034) 1.605 10.353 ( 0.209 0.932 0.286) 0.997 10.383 ( -0.472 -0.597 -0.146) 0.775 10.466 ( 0.508 1.638 -0.438) 1.770 10.538 ( 0.717 -1.387 -1.329) 2.050 11.520 ( 0.253 2.035 0.265) 2.068 11.670 ( 0.846 -4.466 0.077) 4.547 11.743 ( 1.148 0.949 0.023) 1.490 11.836 ( -0.234 -2.727 1.893) 3.328 12.242 ( -1.119 6.540 0.204) 6.638 12.405 ( -0.007 2.566 -0.398) 2.597 12.434 ( -0.996 -2.350 0.106) 2.554 12.536 ( -0.422 -2.526 -0.159) 2.566 ======================= Grid point 14 (9/75) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 0.000 -21.559 0.000) 21.559 0.925 ( 0.000 21.559 0.000) 21.559 1.060 ( 0.000 -24.323 0.000) 24.323 1.060 ( 0.000 24.323 0.000) 24.323 1.787 ( 0.000 -36.188 0.000) 36.188 1.787 ( 0.000 36.188 0.000) 36.188 2.045 ( 0.000 -5.055 0.000) 5.055 2.045 ( 0.000 5.055 0.000) 5.055 2.191 ( 0.000 -2.661 0.000) 2.661 2.191 ( 0.000 2.661 0.000) 2.661 2.259 ( 0.000 -6.610 0.000) 6.610 2.259 ( 0.000 6.610 0.000) 6.610 2.407 ( 0.000 -2.515 0.000) 2.515 2.407 ( 0.000 2.515 0.000) 2.515 2.649 ( 0.000 -5.798 0.000) 5.798 2.649 ( 0.000 5.798 0.000) 5.798 2.781 ( 0.000 -3.071 0.000) 3.071 2.781 ( 0.000 3.071 0.000) 3.071 2.993 ( 0.000 -7.033 0.000) 7.033 2.993 ( 0.000 7.033 0.000) 7.033 3.118 ( 0.000 -0.932 0.000) 0.932 3.118 ( 0.000 0.932 0.000) 0.932 3.202 ( 0.000 -3.735 0.000) 3.735 3.202 ( 0.000 3.735 0.000) 3.735 3.347 ( 0.000 -3.738 0.000) 3.738 3.347 ( 0.000 3.738 0.000) 3.738 3.494 ( 0.000 -4.430 0.000) 4.430 3.494 ( 0.000 4.430 0.000) 4.430 3.687 ( 0.000 -1.542 0.000) 1.542 3.687 ( 0.000 1.542 0.000) 1.542 3.842 ( 0.000 -2.356 0.000) 2.356 3.842 ( 0.000 2.356 0.000) 2.356 4.043 ( 0.000 -2.812 0.000) 2.812 4.043 ( 0.000 2.812 0.000) 2.812 4.310 ( 0.000 -0.765 0.000) 0.765 4.310 ( 0.000 0.765 0.000) 0.765 4.602 ( 0.000 -0.261 0.000) 0.261 4.602 ( 0.000 0.261 0.000) 0.261 4.696 ( 0.000 -1.098 0.000) 1.098 4.696 ( 0.000 1.098 0.000) 1.098 4.825 ( 0.000 -0.023 0.000) 0.023 4.825 ( 0.000 0.023 0.000) 0.023 5.038 ( 0.000 -1.767 0.000) 1.767 5.038 ( 0.000 1.767 0.000) 1.767 5.148 ( 0.000 -0.441 0.000) 0.441 5.148 ( 0.000 0.441 0.000) 0.441 5.397 ( 0.000 -1.755 0.000) 1.755 5.397 ( 0.000 1.755 0.000) 1.755 5.495 ( 0.000 -1.281 0.000) 1.281 5.495 ( 0.000 1.281 0.000) 1.281 5.534 ( 0.000 -1.635 0.000) 1.635 5.534 ( 0.000 1.635 0.000) 1.635 5.828 ( 0.000 -2.242 0.000) 2.242 5.828 ( 0.000 2.242 0.000) 2.242 5.944 ( 0.000 -1.456 0.000) 1.456 5.944 ( 0.000 1.456 0.000) 1.456 6.076 ( 0.000 -0.892 0.000) 0.892 6.076 ( 0.000 0.892 0.000) 0.892 6.317 ( 0.000 -1.352 0.000) 1.352 6.317 ( 0.000 1.352 0.000) 1.352 6.478 ( 0.000 -5.369 0.000) 5.369 6.478 ( 0.000 5.369 0.000) 5.369 6.553 ( 0.000 -3.925 0.000) 3.925 6.553 ( 0.000 3.925 0.000) 3.925 6.608 ( 0.000 -2.407 0.000) 2.407 6.608 ( 0.000 2.407 0.000) 2.407 6.741 ( 0.000 -2.051 0.000) 2.051 6.741 ( 0.000 2.051 0.000) 2.051 6.970 ( 0.000 -0.073 0.000) 0.073 6.970 ( 0.000 0.073 0.000) 0.073 7.138 ( 0.000 -2.333 0.000) 2.333 7.138 ( 0.000 2.333 0.000) 2.333 7.508 ( 0.000 -0.435 0.000) 0.435 7.508 ( 0.000 0.435 0.000) 0.435 7.667 ( 0.000 -6.981 0.000) 6.981 7.667 ( 0.000 6.981 0.000) 6.981 8.106 ( 0.000 -1.615 0.000) 1.615 8.106 ( 0.000 1.615 0.000) 1.615 9.032 ( 0.000 -10.834 0.000) 10.834 9.032 ( 0.000 10.834 0.000) 10.834 10.249 ( 0.000 -0.440 0.000) 0.440 10.249 ( 0.000 0.440 0.000) 0.440 10.341 ( 0.000 -1.657 0.000) 1.657 10.341 ( 0.000 1.657 0.000) 1.657 10.362 ( 0.000 -1.303 0.000) 1.303 10.362 ( 0.000 1.303 0.000) 1.303 10.436 ( 0.000 -1.201 0.000) 1.201 10.436 ( 0.000 1.201 0.000) 1.201 11.544 ( 0.000 -1.902 0.000) 1.902 11.544 ( 0.000 1.902 0.000) 1.902 11.596 ( 0.000 -2.289 0.000) 2.289 11.596 ( 0.000 2.289 0.000) 2.289 12.481 ( 0.000 -3.489 0.000) 3.489 12.481 ( 0.000 3.489 0.000) 3.489 12.562 ( 0.000 -1.072 0.000) 1.072 12.562 ( 0.000 1.072 0.000) 1.072 ======================= Grid point 16 (10/75) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 5.951 -20.282 1.089) 21.165 1.009 ( 5.951 20.282 1.089) 21.165 1.078 ( 6.445 -22.772 -0.642) 23.675 1.078 ( 6.445 22.772 -0.642) 23.675 1.900 ( 7.629 -20.235 -0.753) 21.638 1.900 ( 7.629 20.235 -0.753) 21.638 2.079 ( 2.366 -8.620 -1.805) 9.120 2.079 ( 2.366 8.620 -1.805) 9.120 2.161 ( -0.091 -4.258 -1.372) 4.474 2.161 ( -0.091 4.258 -1.372) 4.474 2.309 ( 4.562 -5.703 3.875) 8.267 2.309 ( 4.562 5.703 3.875) 8.267 2.416 ( 1.266 -4.031 -1.174) 4.385 2.416 ( 1.266 4.031 -1.174) 4.385 2.638 ( -0.957 -4.803 -2.175) 5.358 2.638 ( -0.957 4.803 -2.175) 5.358 2.722 ( -5.702 -3.367 -0.104) 6.623 2.722 ( -5.702 3.367 -0.104) 6.623 2.924 ( -4.792 -5.971 0.120) 7.657 2.924 ( -4.792 5.971 0.120) 7.657 3.054 ( -5.318 -6.573 -1.003) 8.514 3.054 ( -5.318 6.573 -1.003) 8.514 3.238 ( 0.917 -4.747 3.771) 6.132 3.238 ( 0.917 4.747 3.771) 6.132 3.359 ( -0.251 -3.251 1.973) 3.811 3.359 ( -0.251 3.251 1.973) 3.811 3.456 ( -1.150 -4.058 -0.099) 4.219 3.456 ( -1.150 4.058 -0.099) 4.219 3.711 ( -1.796 -1.554 2.466) 3.424 3.711 ( -1.796 1.554 2.466) 3.424 3.824 ( 0.056 -1.962 -2.120) 2.889 3.824 ( 0.056 1.962 -2.120) 2.889 4.064 ( 1.364 -3.471 -2.777) 4.650 4.064 ( 1.364 3.471 -2.777) 4.650 4.336 ( 2.591 -1.442 3.300) 4.436 4.336 ( 2.591 1.442 3.300) 4.436 4.584 ( -1.584 -2.488 -1.821) 3.467 4.584 ( -1.584 2.488 -1.821) 3.467 4.706 ( 0.649 -2.669 -0.030) 2.747 4.706 ( 0.649 2.669 -0.030) 2.747 4.815 ( -0.473 -0.805 -0.350) 0.997 4.815 ( -0.473 0.805 -0.350) 0.997 5.051 ( 1.564 -0.591 -0.481) 1.740 5.051 ( 1.564 0.591 -0.481) 1.740 5.133 ( -1.163 -1.045 -0.210) 1.577 5.133 ( -1.163 1.045 -0.210) 1.577 5.394 ( -0.330 -1.740 -0.496) 1.839 5.394 ( -0.330 1.740 -0.496) 1.839 5.479 ( -0.350 -1.463 2.578) 2.985 5.479 ( -0.350 1.463 2.578) 2.985 5.587 ( 3.063 -1.354 1.638) 3.728 5.587 ( 3.063 1.354 1.638) 3.728 5.834 ( 0.130 -1.325 -0.283) 1.361 5.834 ( 0.130 1.325 -0.283) 1.361 5.953 ( 1.155 -0.653 -1.107) 1.728 5.953 ( 1.155 0.653 -1.107) 1.728 6.072 ( -0.142 -1.366 -0.575) 1.489 6.072 ( -0.142 1.366 -0.575) 1.489 6.269 ( -3.183 -2.124 -0.840) 3.918 6.269 ( -3.183 2.124 -0.840) 3.918 6.465 ( -2.871 -1.861 -0.023) 3.421 6.465 ( -2.871 1.861 -0.023) 3.421 6.537 ( -0.590 -3.913 1.047) 4.093 6.537 ( -0.590 3.913 1.047) 4.093 6.654 ( 1.977 -3.223 1.579) 4.097 6.654 ( 1.977 3.223 1.579) 4.097 6.710 ( -0.266 -1.700 -3.835) 4.203 6.710 ( -0.266 1.700 -3.835) 4.203 6.983 ( 0.290 -0.509 0.658) 0.881 6.983 ( 0.290 0.509 0.658) 0.881 7.131 ( -0.335 -2.185 -0.051) 2.211 7.131 ( -0.335 2.185 -0.051) 2.211 7.503 ( -0.644 -2.578 0.066) 2.658 7.503 ( -0.644 2.578 0.066) 2.658 7.664 ( -0.799 -5.551 1.440) 5.790 7.664 ( -0.799 5.551 1.440) 5.790 8.120 ( 1.510 -2.105 -0.593) 2.658 8.120 ( 1.510 2.105 -0.593) 2.658 8.916 ( -9.637 -7.400 -2.260) 12.359 8.916 ( -9.637 7.400 -2.260) 12.359 10.233 ( -0.895 -0.452 1.211) 1.572 10.233 ( -0.895 0.452 1.211) 1.572 10.338 ( -0.975 -1.274 -1.466) 2.173 10.338 ( -0.975 1.274 -1.466) 2.173 10.378 ( 1.213 -2.145 -1.127) 2.710 10.378 ( 1.213 2.145 -1.127) 2.710 10.449 ( 1.784 -1.131 -1.488) 2.584 10.449 ( 1.784 1.131 -1.488) 2.584 11.544 ( 0.207 -2.266 1.682) 2.830 11.544 ( 0.207 2.266 1.682) 2.830 11.657 ( 4.480 -1.633 1.661) 5.050 11.657 ( 4.480 1.633 1.661) 5.050 12.468 ( -1.606 -3.033 -0.301) 3.445 12.468 ( -1.606 3.033 -0.301) 3.445 12.519 ( -3.298 -3.469 -0.169) 4.789 12.519 ( -3.298 3.469 -0.169) 4.789 ======================= Grid point 18 (11/75) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 9.560 -12.699 0.871) 15.919 1.147 ( 9.560 12.699 0.871) 15.919 1.323 ( 16.185 -11.636 2.771) 20.125 1.323 ( 16.185 11.636 2.771) 20.125 1.937 ( -2.574 -1.421 -4.030) 4.989 1.937 ( -2.574 1.421 -4.030) 4.989 2.076 ( 0.303 -3.221 -2.558) 4.124 2.076 ( 0.303 3.221 -2.558) 4.124 2.213 ( 3.336 -2.994 -1.828) 4.841 2.213 ( 3.336 2.994 -1.828) 4.841 2.366 ( -7.024 -3.052 -0.971) 7.720 2.366 ( -7.024 3.052 -0.971) 7.720 2.444 ( 1.551 -4.893 0.261) 5.140 2.444 ( 1.551 4.893 0.261) 5.140 2.635 ( 0.659 -4.144 -2.762) 5.023 2.635 ( 0.659 4.144 -2.762) 5.023 2.679 ( 8.550 -11.930 2.447) 14.880 2.679 ( 8.550 11.930 2.447) 14.880 2.862 ( -2.380 -1.631 2.249) 3.658 2.862 ( -2.380 1.631 2.249) 3.658 2.953 ( -3.398 -4.705 0.201) 5.807 2.953 ( -3.398 4.705 0.201) 5.807 3.224 ( -3.645 -2.295 3.925) 5.827 3.224 ( -3.645 2.295 3.925) 5.827 3.348 ( -1.472 -2.917 1.906) 3.783 3.348 ( -1.472 2.917 1.906) 3.783 3.481 ( 1.647 -6.063 3.453) 7.169 3.481 ( 1.647 6.063 3.453) 7.169 3.620 ( -6.302 -3.064 -0.933) 7.069 3.620 ( -6.302 3.064 -0.933) 7.069 3.800 ( -2.739 -1.917 -3.281) 4.684 3.800 ( -2.739 1.917 -3.281) 4.684 4.058 ( -0.657 -0.993 -1.205) 1.694 4.058 ( -0.657 0.993 -1.205) 1.694 4.418 ( 3.613 -2.086 2.420) 4.822 4.418 ( 3.613 2.086 2.420) 4.822 4.538 ( -1.901 -3.072 -1.640) 3.967 4.538 ( -1.901 3.072 -1.640) 3.967 4.707 ( -0.237 -1.795 -0.917) 2.029 4.707 ( -0.237 1.795 -0.917) 2.029 4.822 ( 1.161 -0.926 0.375) 1.532 4.822 ( 1.161 0.926 0.375) 1.532 5.084 ( 1.408 -1.266 -1.214) 2.249 5.084 ( 1.408 1.266 -1.214) 2.249 5.120 ( 0.420 -1.612 0.355) 1.704 5.120 ( 0.420 1.612 0.355) 1.704 5.375 ( -1.610 -4.110 0.158) 4.417 5.375 ( -1.610 4.110 0.158) 4.417 5.514 ( 2.348 -2.233 4.316) 5.397 5.514 ( 2.348 2.233 4.316) 5.397 5.635 ( 1.560 -0.372 -0.411) 1.656 5.635 ( 1.560 0.372 -0.411) 1.656 5.823 ( -1.008 -0.369 0.314) 1.118 5.823 ( -1.008 0.369 0.314) 1.118 5.975 ( 1.513 -0.518 -1.352) 2.094 5.975 ( 1.513 0.518 -1.352) 2.094 6.070 ( 0.259 -2.167 -1.289) 2.535 6.070 ( 0.259 2.167 -1.289) 2.535 6.219 ( -1.699 -2.357 -1.376) 3.215 6.219 ( -1.699 2.357 -1.376) 3.215 6.390 ( -3.938 -0.634 -0.995) 4.111 6.390 ( -3.938 0.634 -0.995) 4.111 6.544 ( 0.793 -3.677 0.942) 3.878 6.544 ( 0.793 3.677 0.942) 3.878 6.606 ( -4.023 -2.535 0.577) 4.790 6.606 ( -4.023 2.535 0.577) 4.790 6.781 ( 5.270 -0.573 -1.163) 5.427 6.781 ( 5.270 0.573 -1.163) 5.427 6.968 ( -2.062 -1.138 0.890) 2.517 6.968 ( -2.062 1.138 0.890) 2.517 7.130 ( 0.117 -2.815 -0.514) 2.864 7.130 ( 0.117 2.815 -0.514) 2.864 7.485 ( -1.168 -3.776 -0.190) 3.957 7.485 ( -1.168 3.776 -0.190) 3.957 7.646 ( -1.538 -2.824 1.869) 3.720 7.646 ( -1.538 2.824 1.869) 3.720 8.150 ( 1.701 -2.761 -0.708) 3.319 8.150 ( 1.701 2.761 -0.708) 3.319 8.731 ( -7.806 -5.224 -2.183) 9.643 8.731 ( -7.806 5.224 -2.183) 9.643 10.234 ( 0.511 -1.321 0.361) 1.462 10.234 ( 0.511 1.321 0.361) 1.462 10.307 ( -1.734 -1.375 -0.513) 2.272 10.307 ( -1.734 1.375 -0.513) 2.272 10.379 ( -0.443 -1.383 -0.079) 1.455 10.379 ( -0.443 1.383 -0.079) 1.455 10.482 ( 2.029 -1.917 -2.141) 3.518 10.482 ( 2.029 1.917 -2.141) 3.518 11.562 ( 0.937 -3.499 1.143) 3.798 11.562 ( 0.937 3.499 1.143) 3.798 11.739 ( 3.052 -2.659 1.811) 4.434 11.739 ( 3.052 2.659 1.811) 4.434 12.410 ( -3.470 -4.190 -0.215) 5.445 12.410 ( -3.470 4.190 -0.215) 5.445 12.482 ( -0.894 -4.136 -0.226) 4.238 12.482 ( -0.894 4.136 -0.226) 4.238 ======================= Grid point 20 (12/75) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 6.486 -3.173 1.392) 7.354 1.325 ( 6.486 3.173 1.392) 7.354 1.659 ( 16.547 -2.843 3.740) 17.201 1.659 ( 16.547 2.843 3.740) 17.201 1.848 ( -3.549 -1.471 -3.108) 4.942 1.848 ( -3.549 1.471 -3.108) 4.942 2.034 ( -7.843 -4.453 -3.141) 9.550 2.034 ( -7.843 4.453 -3.141) 9.550 2.138 ( -5.797 -0.931 -2.603) 6.423 2.138 ( -5.797 0.931 -2.603) 6.423 2.283 ( 1.297 -5.388 0.440) 5.560 2.283 ( 1.297 5.388 0.440) 5.560 2.452 ( -0.422 -1.485 0.658) 1.678 2.452 ( -0.422 1.485 0.658) 1.678 2.624 ( 0.374 -5.594 -2.092) 5.984 2.624 ( 0.374 5.594 -2.092) 5.984 2.750 ( -3.243 -3.601 0.783) 4.908 2.750 ( -3.243 3.601 0.783) 4.908 2.976 ( 3.686 -2.200 0.925) 4.391 2.976 ( 3.686 2.200 0.925) 4.391 3.023 ( 16.225 -9.621 1.800) 18.949 3.023 ( 16.225 9.621 1.800) 18.949 3.155 ( -4.108 -2.428 2.029) 5.185 3.155 ( -4.108 2.428 2.029) 5.185 3.283 ( -8.071 -6.221 1.352) 10.280 3.283 ( -8.071 6.221 1.352) 10.280 3.433 ( -5.407 -4.168 0.901) 6.887 3.433 ( -5.407 4.168 0.901) 6.887 3.587 ( 2.454 -6.593 0.057) 7.035 3.587 ( 2.454 6.593 0.057) 7.035 3.721 ( -3.110 -3.001 -2.392) 4.939 3.721 ( -3.110 3.001 -2.392) 4.939 4.043 ( -0.498 -2.419 -0.308) 2.489 4.043 ( -0.498 2.419 -0.308) 2.489 4.445 ( -0.482 -3.766 -0.321) 3.810 4.445 ( -0.482 3.766 -0.321) 3.810 4.533 ( 0.913 -2.620 0.482) 2.816 4.533 ( 0.913 2.620 0.482) 2.816 4.700 ( -0.091 -1.501 -0.350) 1.544 4.700 ( -0.091 1.501 -0.350) 1.544 4.846 ( 0.857 -0.557 0.212) 1.044 4.846 ( 0.857 0.557 0.212) 1.044 5.086 ( -0.121 -0.231 -0.414) 0.489 5.086 ( -0.121 0.231 -0.414) 0.489 5.148 ( 1.300 -0.553 -0.032) 1.413 5.148 ( 1.300 0.553 -0.032) 1.413 5.346 ( -1.100 -4.544 0.227) 4.681 5.346 ( -1.100 4.544 0.227) 4.681 5.582 ( 2.496 -1.767 4.808) 5.698 5.582 ( 2.496 1.767 4.808) 5.698 5.637 ( -0.596 -0.688 -3.281) 3.405 5.637 ( -0.596 0.688 -3.281) 3.405 5.809 ( -0.489 -0.133 0.227) 0.555 5.809 ( -0.489 0.133 0.227) 0.555 5.995 ( 0.862 -1.509 -0.560) 1.826 5.995 ( 0.862 1.509 -0.560) 1.826 6.067 ( -0.166 -3.142 -0.747) 3.233 6.067 ( -0.166 3.142 -0.747) 3.233 6.191 ( -0.777 -1.145 -0.841) 1.619 6.191 ( -0.777 1.145 -0.841) 1.619 6.332 ( -1.501 -1.164 -0.565) 1.982 6.332 ( -1.501 1.164 -0.565) 1.982 6.532 ( -1.832 -1.590 0.519) 2.480 6.532 ( -1.832 1.590 0.519) 2.480 6.585 ( 1.038 -0.730 0.365) 1.321 6.585 ( 1.038 0.730 0.365) 1.321 6.854 ( 2.300 -0.294 -0.525) 2.377 6.854 ( 2.300 0.294 -0.525) 2.377 6.930 ( -1.626 -1.144 0.689) 2.104 6.930 ( -1.626 1.144 0.689) 2.104 7.127 ( -0.170 -3.168 -0.315) 3.188 7.127 ( -0.170 3.168 -0.315) 3.188 7.464 ( -0.669 -2.366 -0.218) 2.468 7.464 ( -0.669 2.366 -0.218) 2.468 7.629 ( -0.692 -2.075 0.903) 2.367 7.629 ( -0.692 2.075 0.903) 2.367 8.173 ( 0.721 -3.089 -0.314) 3.187 8.173 ( 0.721 3.089 -0.314) 3.187 8.625 ( -2.688 -4.164 -0.826) 5.024 8.625 ( -2.688 4.164 -0.826) 5.024 10.248 ( 0.847 -1.437 -0.238) 1.685 10.248 ( 0.847 1.437 -0.238) 1.685 10.276 ( -1.256 -1.363 0.167) 1.861 10.276 ( -1.256 1.363 0.167) 1.861 10.371 ( -0.324 -0.754 0.062) 0.823 10.371 ( -0.324 0.754 0.062) 0.823 10.503 ( 0.727 -1.948 -0.799) 2.227 10.503 ( 0.727 1.948 -0.799) 2.227 11.580 ( 0.474 -4.024 0.377) 4.069 11.580 ( 0.474 4.024 0.377) 4.069 11.781 ( 0.910 -2.578 0.687) 2.819 11.781 ( 0.910 2.578 0.687) 2.819 12.362 ( -1.296 -4.978 -0.055) 5.144 12.362 ( -1.296 4.978 -0.055) 5.144 12.470 ( -0.271 -3.712 -0.114) 3.724 12.470 ( -0.271 3.712 -0.114) 3.724 ======================= Grid point 35 (13/75) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( -3.931 0.000 23.551) 23.877 0.447 ( 4.032 0.000 23.666) 24.007 0.844 ( -1.906 0.000 44.146) 44.187 1.611 ( 1.850 0.000 6.660) 6.912 1.792 ( -2.521 0.000 0.079) 2.522 1.855 ( -1.014 0.000 -0.274) 1.050 1.895 ( -3.497 0.000 1.475) 3.795 2.040 ( 0.562 0.000 1.648) 1.741 2.114 ( 0.634 0.000 -2.006) 2.104 2.166 ( -1.247 0.000 0.852) 1.510 2.247 ( -0.638 0.000 0.875) 1.083 2.402 ( 0.338 0.000 -6.909) 6.917 2.423 ( -2.345 0.000 -7.209) 7.581 2.567 ( -1.551 0.000 1.799) 2.376 2.615 ( -0.481 0.000 1.926) 1.986 2.700 ( 0.059 0.000 -4.331) 4.331 2.832 ( 0.652 0.000 -1.605) 1.732 2.840 ( -1.314 0.000 -0.598) 1.444 2.885 ( -0.730 0.000 -6.146) 6.189 2.887 ( 1.670 0.000 0.094) 1.673 3.111 ( 1.724 0.000 -2.977) 3.440 3.163 ( 1.857 0.000 -0.301) 1.881 3.287 ( 12.159 0.000 -0.329) 12.163 3.351 ( 2.050 0.000 -3.002) 3.635 3.409 ( -0.759 0.000 0.476) 0.896 3.517 ( 1.332 0.000 0.912) 1.614 3.548 ( -0.231 0.000 7.648) 7.651 3.560 ( -3.956 0.000 -0.533) 3.992 3.636 ( 1.916 0.000 1.853) 2.666 3.694 ( 0.048 0.000 -0.843) 0.844 3.792 ( -1.377 0.000 0.400) 1.434 3.824 ( 8.849 0.000 -0.203) 8.852 4.017 ( -1.808 0.000 -2.462) 3.055 4.032 ( -3.172 0.000 -3.900) 5.027 4.155 ( -1.290 0.000 2.704) 2.996 4.365 ( -6.189 0.000 2.540) 6.690 4.506 ( 2.189 0.000 -1.284) 2.538 4.648 ( -3.425 0.000 -3.330) 4.777 4.653 ( -1.346 0.000 2.073) 2.471 4.674 ( -0.470 0.000 -2.591) 2.633 4.776 ( 0.160 0.000 -4.058) 4.062 4.778 ( -0.075 0.000 -2.593) 2.594 4.993 ( -2.636 0.000 0.810) 2.757 5.132 ( -0.054 0.000 3.614) 3.615 5.157 ( -1.113 0.000 0.160) 1.125 5.220 ( -1.864 0.000 -2.897) 3.445 5.274 ( -2.043 0.000 0.400) 2.081 5.387 ( 1.095 0.000 -1.321) 1.715 5.496 ( 4.705 0.000 2.920) 5.537 5.563 ( 0.683 0.000 4.755) 4.804 5.573 ( -1.240 0.000 0.393) 1.301 5.708 ( -1.994 0.000 0.459) 2.046 5.768 ( 6.353 0.000 1.868) 6.621 5.897 ( 0.194 0.000 2.219) 2.228 5.917 ( -4.081 0.000 -0.005) 4.081 6.091 ( 0.116 0.000 0.773) 0.782 6.126 ( -0.203 0.000 -2.567) 2.575 6.267 ( -2.687 0.000 -2.009) 3.355 6.269 ( 6.162 0.000 1.281) 6.294 6.364 ( 1.784 0.000 2.572) 3.130 6.383 ( -2.279 0.000 0.805) 2.417 6.535 ( 2.242 0.000 -0.846) 2.397 6.592 ( 23.070 0.000 -0.185) 23.071 6.600 ( 2.098 0.000 -2.684) 3.407 6.650 ( 2.339 0.000 -0.824) 2.480 6.724 ( -2.349 0.000 -1.323) 2.695 6.731 ( -3.557 0.000 -0.344) 3.574 6.817 ( -1.345 0.000 0.169) 1.356 6.978 ( 1.857 0.000 2.991) 3.521 6.987 ( -0.599 0.000 -0.698) 0.920 7.156 ( -1.401 0.000 1.305) 1.915 7.236 ( 0.992 0.000 0.787) 1.266 7.302 ( -13.100 0.000 0.313) 13.104 7.400 ( -0.188 0.000 -1.511) 1.522 7.460 ( 0.232 0.000 -1.566) 1.583 7.565 ( -7.384 0.000 -2.388) 7.760 8.180 ( 0.608 0.000 1.106) 1.262 8.452 ( -11.054 0.000 0.813) 11.083 8.526 ( -0.817 0.000 -3.763) 3.851 8.595 ( 0.594 0.000 -0.304) 0.668 10.225 ( -0.237 0.000 0.207) 0.315 10.243 ( 0.176 0.000 0.343) 0.385 10.266 ( 0.991 0.000 -0.130) 0.999 10.339 ( -0.612 0.000 -0.067) 0.615 10.387 ( -12.184 0.000 0.491) 12.194 10.407 ( -0.315 0.000 -0.124) 0.339 10.409 ( -0.907 0.000 0.984) 1.338 10.471 ( -8.408 0.000 -1.372) 8.519 11.487 ( 0.215 0.000 -1.124) 1.145 11.622 ( 0.807 0.000 2.367) 2.500 11.628 ( 0.245 0.000 -2.513) 2.525 11.837 ( 21.906 0.000 -0.724) 21.918 12.161 ( 0.081 0.000 0.762) 0.766 12.360 ( 0.401 0.000 -2.185) 2.221 12.608 ( -0.311 0.000 0.253) 0.401 12.659 ( 0.199 0.000 -0.110) 0.227 ======================= Grid point 36 (14/75) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 20.438 0.000 14.398) 25.000 0.774 ( 17.625 0.000 16.578) 24.196 1.200 ( 19.884 0.000 31.176) 36.977 1.704 ( 4.562 0.000 8.288) 9.460 1.788 ( 2.218 0.000 -1.872) 2.902 1.840 ( 0.501 0.000 -2.185) 2.242 1.851 ( -0.337 0.000 -0.678) 0.757 2.075 ( 0.982 0.000 1.579) 1.859 2.078 ( -3.942 0.000 1.754) 4.314 2.146 ( 0.230 0.000 -1.503) 1.521 2.209 ( -2.317 0.000 0.246) 2.330 2.311 ( -5.164 0.000 -6.618) 8.394 2.365 ( -1.817 0.000 -6.180) 6.442 2.501 ( -6.096 0.000 -0.045) 6.097 2.582 ( -2.482 0.000 -0.725) 2.585 2.611 ( -6.182 0.000 -4.298) 7.529 2.815 ( -1.952 0.000 1.074) 2.228 2.818 ( -3.976 0.000 -2.012) 4.456 2.843 ( 1.870 0.000 -4.911) 5.255 2.943 ( 3.710 0.000 0.898) 3.818 3.156 ( 3.300 0.000 -0.988) 3.445 3.164 ( -2.371 0.000 -0.899) 2.536 3.329 ( -2.121 0.000 -2.846) 3.549 3.380 ( -1.640 0.000 0.533) 1.724 3.390 ( 0.971 0.000 -0.711) 1.203 3.457 ( -6.208 0.000 -1.879) 6.486 3.554 ( -1.670 0.000 3.969) 4.306 3.642 ( 2.990 0.000 -2.022) 3.610 3.660 ( 1.936 0.000 1.351) 2.360 3.723 ( 3.038 0.000 -1.512) 3.394 3.741 ( -2.846 0.000 0.485) 2.887 3.830 ( -5.387 0.000 5.022) 7.365 3.992 ( 0.221 0.000 -3.365) 3.372 4.069 ( 4.507 0.000 -3.705) 5.834 4.183 ( 4.427 0.000 0.928) 4.523 4.280 ( -4.357 0.000 4.885) 6.546 4.560 ( 3.134 0.000 0.282) 3.147 4.581 ( -2.953 0.000 -1.329) 3.238 4.652 ( 0.925 0.000 1.637) 1.880 4.664 ( 0.376 0.000 -1.656) 1.699 4.776 ( 0.904 0.000 -3.055) 3.186 4.780 ( 1.977 0.000 -3.818) 4.299 4.986 ( 1.417 0.000 -0.916) 1.687 5.144 ( -0.638 0.000 0.546) 0.840 5.144 ( -0.179 0.000 2.590) 2.596 5.181 ( -0.992 0.000 -2.781) 2.953 5.241 ( -1.691 0.000 1.860) 2.514 5.414 ( 2.194 0.000 -0.081) 2.195 5.556 ( 0.078 0.000 1.027) 1.030 5.569 ( 1.481 0.000 3.122) 3.455 5.606 ( 1.175 0.000 4.367) 4.522 5.681 ( -0.788 0.000 0.669) 1.034 5.842 ( 0.637 0.000 3.388) 3.448 5.871 ( 0.008 0.000 -2.645) 2.645 5.912 ( 1.380 0.000 1.699) 2.189 6.085 ( -1.279 0.000 1.067) 1.665 6.087 ( -2.995 0.000 -2.240) 3.740 6.181 ( -3.702 0.000 -1.316) 3.929 6.264 ( -5.001 0.000 2.158) 5.447 6.328 ( -2.293 0.000 -0.621) 2.376 6.387 ( -1.747 0.000 -1.540) 2.329 6.412 ( -15.711 0.000 8.493) 17.860 6.532 ( -3.447 0.000 1.508) 3.762 6.626 ( -2.874 0.000 -0.355) 2.896 6.680 ( 5.666 0.000 2.036) 6.021 6.699 ( 2.599 0.000 -1.927) 3.235 6.715 ( 1.674 0.000 -2.182) 2.750 6.768 ( -4.978 0.000 0.339) 4.990 6.969 ( -0.912 0.000 2.146) 2.332 7.023 ( 1.306 0.000 3.718) 3.940 7.119 ( -2.604 0.000 1.063) 2.812 7.267 ( 1.134 0.000 0.846) 1.415 7.338 ( 1.690 0.000 -1.210) 2.079 7.403 ( 5.594 0.000 -6.037) 8.230 7.453 ( -0.418 0.000 -1.328) 1.392 7.597 ( 2.944 0.000 -1.743) 3.421 8.156 ( -1.443 0.000 0.487) 1.523 8.473 ( 5.276 0.000 -3.845) 6.529 8.482 ( -1.912 0.000 -4.253) 4.663 8.583 ( -1.563 0.000 -0.088) 1.565 10.217 ( -0.333 0.000 0.122) 0.355 10.257 ( 0.530 0.000 0.131) 0.546 10.293 ( 1.178 0.000 1.104) 1.614 10.299 ( 1.510 0.000 -0.001) 1.510 10.371 ( 3.098 0.000 -0.037) 3.098 10.374 ( -2.014 0.000 0.119) 2.017 10.406 ( -0.472 0.000 0.041) 0.474 10.446 ( 0.200 0.000 -0.803) 0.828 11.486 ( 0.217 0.000 -0.825) 0.853 11.626 ( 1.062 0.000 -3.145) 3.319 11.663 ( 2.147 0.000 2.457) 3.263 12.016 ( 1.708 0.000 -5.280) 5.550 12.165 ( 0.009 0.000 0.832) 0.832 12.356 ( -0.005 0.000 -2.203) 2.203 12.589 ( -5.302 0.000 3.163) 6.174 12.595 ( -1.034 0.000 0.067) 1.036 ======================= Grid point 37 (15/75) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 15.035 0.000 9.659) 17.870 1.171 ( 18.137 0.000 12.801) 22.200 1.618 ( 10.229 0.000 8.380) 13.223 1.801 ( -3.690 0.000 -4.115) 5.527 1.802 ( 1.624 0.000 4.899) 5.161 1.876 ( 5.542 0.000 -2.203) 5.963 1.913 ( 6.880 0.000 1.475) 7.037 2.028 ( -4.194 0.000 -0.906) 4.290 2.096 ( 6.115 0.000 6.242) 8.738 2.176 ( 5.372 0.000 0.804) 5.432 2.192 ( -1.112 0.000 -0.881) 1.418 2.264 ( 2.405 0.000 -1.094) 2.642 2.310 ( 0.711 0.000 -2.310) 2.417 2.376 ( -4.934 0.000 -0.134) 4.936 2.472 ( -7.046 0.000 -1.664) 7.240 2.537 ( -1.240 0.000 -4.130) 4.312 2.702 ( -5.648 0.000 -4.516) 7.231 2.784 ( -1.577 0.000 1.654) 2.286 2.884 ( 2.594 0.000 -3.250) 4.158 3.010 ( 2.291 0.000 -0.717) 2.400 3.057 ( -7.595 0.000 -1.334) 7.711 3.213 ( 1.690 0.000 1.223) 2.086 3.264 ( -4.791 0.000 -0.507) 4.818 3.324 ( -4.312 0.000 1.086) 4.447 3.342 ( -2.995 0.000 -3.868) 4.891 3.390 ( -1.226 0.000 -0.618) 1.373 3.516 ( -1.802 0.000 -0.098) 1.805 3.558 ( -6.171 0.000 -2.697) 6.734 3.672 ( -1.302 0.000 -1.053) 1.674 3.711 ( -3.583 0.000 3.422) 4.954 3.787 ( 3.792 0.000 2.911) 4.780 3.830 ( 1.820 0.000 1.072) 2.112 3.955 ( -3.305 0.000 -1.612) 3.677 4.124 ( 3.984 0.000 -2.292) 4.596 4.191 ( -6.197 0.000 2.149) 6.559 4.276 ( 3.501 0.000 -0.289) 3.513 4.528 ( -2.056 0.000 -0.418) 2.098 4.598 ( 0.519 0.000 1.286) 1.386 4.673 ( 0.959 0.000 -1.121) 1.475 4.708 ( 3.575 0.000 1.149) 3.755 4.789 ( 1.509 0.000 -2.523) 2.939 4.819 ( 3.169 0.000 -2.985) 4.354 5.016 ( 1.789 0.000 -1.377) 2.257 5.132 ( -1.665 0.000 2.500) 3.004 5.134 ( -0.432 0.000 1.052) 1.137 5.167 ( 0.337 0.000 -1.728) 1.761 5.248 ( 1.523 0.000 1.310) 2.009 5.460 ( 2.122 0.000 -0.733) 2.245 5.563 ( -1.256 0.000 -0.323) 1.297 5.586 ( 1.438 0.000 1.935) 2.411 5.654 ( -1.931 0.000 0.602) 2.022 5.654 ( 1.762 0.000 3.110) 3.575 5.849 ( -0.257 0.000 2.606) 2.619 5.875 ( 0.486 0.000 -2.170) 2.224 5.951 ( 0.789 0.000 2.390) 2.517 6.010 ( -3.725 0.000 -0.118) 3.727 6.035 ( -3.958 0.000 2.461) 4.661 6.141 ( -0.043 0.000 -2.232) 2.233 6.169 ( -2.647 0.000 1.640) 3.114 6.283 ( -2.097 0.000 -0.987) 2.317 6.303 ( -2.658 0.000 1.387) 2.998 6.343 ( -0.918 0.000 -2.288) 2.465 6.458 ( -4.175 0.000 0.059) 4.175 6.559 ( -3.673 0.000 0.104) 3.674 6.694 ( -2.638 0.000 1.731) 3.155 6.741 ( 1.805 0.000 -1.294) 2.220 6.744 ( 2.104 0.000 -1.291) 2.468 6.811 ( 6.025 0.000 2.824) 6.654 6.976 ( 0.394 0.000 3.826) 3.846 7.049 ( -0.063 0.000 -0.744) 0.747 7.068 ( -3.009 0.000 4.288) 5.239 7.273 ( -0.655 0.000 0.296) 0.719 7.309 ( -2.403 0.000 -1.155) 2.667 7.438 ( -0.651 0.000 -0.508) 0.826 7.439 ( -0.269 0.000 -4.676) 4.684 7.618 ( 0.484 0.000 0.289) 0.563 8.164 ( 2.106 0.000 -1.523) 2.599 8.438 ( -0.804 0.000 -3.555) 3.645 8.524 ( 2.070 0.000 -3.143) 3.763 8.545 ( -2.222 0.000 0.019) 2.222 10.215 ( -0.102 0.000 0.366) 0.380 10.245 ( -1.440 0.000 0.328) 1.476 10.309 ( -0.038 0.000 1.471) 1.471 10.332 ( 1.506 0.000 0.553) 1.604 10.339 ( -1.570 0.000 0.012) 1.570 10.399 ( -0.167 0.000 0.566) 0.591 10.428 ( 1.261 0.000 -0.475) 1.347 10.470 ( 3.590 0.000 -2.034) 4.126 11.490 ( 0.360 0.000 -0.727) 0.811 11.644 ( 2.166 0.000 -4.217) 4.741 11.707 ( 1.381 0.000 1.692) 2.184 11.978 ( -3.135 0.000 -1.682) 3.557 12.167 ( -0.156 0.000 0.723) 0.739 12.346 ( 0.072 0.000 -2.452) 2.453 12.521 ( -3.119 0.000 2.946) 4.290 12.574 ( -1.004 0.000 0.038) 1.004 ======================= Grid point 38 (16/75) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 6.306 0.000 4.322) 7.644 1.447 ( -1.083 0.000 6.152) 6.246 1.655 ( 3.942 0.000 2.108) 4.470 1.771 ( 1.823 0.000 2.995) 3.506 1.776 ( -4.606 0.000 2.979) 5.485 1.950 ( -4.774 0.000 -3.683) 6.030 1.989 ( 6.109 0.000 -1.810) 6.372 2.076 ( 8.360 0.000 0.576) 8.380 2.124 ( -1.211 0.000 -0.264) 1.239 2.228 ( 0.935 0.000 -1.123) 1.462 2.229 ( 6.082 0.000 1.963) 6.391 2.266 ( -1.045 0.000 1.426) 1.768 2.354 ( -3.787 0.000 4.812) 6.123 2.385 ( 1.211 0.000 2.004) 2.342 2.505 ( 0.281 0.000 -5.882) 5.889 2.610 ( 17.963 0.000 6.455) 19.087 2.611 ( -0.216 0.000 -7.358) 7.362 2.754 ( -2.360 0.000 -1.922) 3.044 2.848 ( -5.011 0.000 -0.827) 5.079 2.977 ( 1.218 0.000 -3.003) 3.241 3.016 ( 0.567 0.000 -0.135) 0.583 3.063 ( -15.291 0.000 -1.801) 15.397 3.224 ( -0.537 0.000 -5.198) 5.225 3.229 ( -5.635 0.000 1.123) 5.746 3.339 ( 0.637 0.000 1.160) 1.323 3.347 ( -2.231 0.000 -2.932) 3.684 3.460 ( -0.928 0.000 -0.130) 0.937 3.507 ( 0.535 0.000 -0.391) 0.663 3.666 ( -2.292 0.000 3.124) 3.875 3.676 ( 2.082 0.000 1.520) 2.578 3.827 ( -0.737 0.000 0.087) 0.742 3.841 ( -0.536 0.000 0.015) 0.536 3.874 ( -3.704 0.000 0.055) 3.705 4.111 ( -1.940 0.000 1.513) 2.460 4.197 ( 4.047 0.000 -3.167) 5.139 4.296 ( -1.138 0.000 -0.411) 1.210 4.507 ( -0.152 0.000 0.392) 0.420 4.603 ( -0.256 0.000 0.917) 0.952 4.686 ( 0.777 0.000 -1.030) 1.290 4.756 ( 0.652 0.000 0.574) 0.868 4.810 ( 1.232 0.000 -1.020) 1.599 4.862 ( 1.961 0.000 -2.474) 3.157 5.034 ( 0.233 0.000 0.369) 0.436 5.121 ( -0.244 0.000 1.692) 1.709 5.139 ( 0.337 0.000 1.937) 1.966 5.176 ( 0.991 0.000 -0.131) 1.000 5.279 ( 0.972 0.000 -0.062) 0.974 5.455 ( -0.771 0.000 -5.609) 5.661 5.552 ( -4.202 0.000 -0.498) 4.232 5.572 ( 1.305 0.000 0.132) 1.312 5.662 ( 1.392 0.000 3.310) 3.591 5.671 ( -1.574 0.000 1.509) 2.181 5.861 ( 0.785 0.000 0.691) 1.046 5.870 ( 0.624 0.000 -1.644) 1.758 5.922 ( -3.528 0.000 3.660) 5.083 5.976 ( -0.063 0.000 1.946) 1.947 6.017 ( 0.167 0.000 0.799) 0.816 6.150 ( 1.540 0.000 -1.868) 2.421 6.171 ( 2.300 0.000 -1.191) 2.590 6.252 ( -3.611 0.000 0.357) 3.629 6.256 ( -0.290 0.000 0.461) 0.545 6.343 ( 1.390 0.000 -1.309) 1.910 6.410 ( -0.106 0.000 0.977) 0.983 6.502 ( -1.971 0.000 0.151) 1.977 6.660 ( -2.133 0.000 -0.886) 2.310 6.763 ( 0.664 0.000 -2.013) 2.120 6.774 ( 1.346 0.000 3.626) 3.868 6.909 ( 2.643 0.000 3.284) 4.216 6.984 ( -3.977 0.000 -0.556) 4.015 7.001 ( -0.043 0.000 3.402) 3.402 7.077 ( 0.528 0.000 2.537) 2.591 7.255 ( -0.830 0.000 0.010) 0.830 7.256 ( -1.903 0.000 -1.735) 2.575 7.416 ( 0.455 0.000 -2.947) 2.982 7.427 ( -0.365 0.000 0.120) 0.384 7.618 ( -0.642 0.000 -0.696) 0.947 8.206 ( 2.344 0.000 -0.670) 2.438 8.432 ( 1.271 0.000 -2.289) 2.618 8.507 ( -1.668 0.000 -0.171) 1.677 8.549 ( 1.825 0.000 -1.511) 2.369 10.212 ( -0.392 0.000 0.420) 0.575 10.223 ( -0.743 0.000 0.688) 1.012 10.310 ( 0.042 0.000 0.776) 0.777 10.317 ( -0.843 0.000 0.210) 0.869 10.347 ( -0.111 0.000 0.042) 0.118 10.405 ( 0.174 0.000 1.813) 1.822 10.440 ( 0.613 0.000 -0.522) 0.805 10.533 ( 3.211 0.000 -0.396) 3.235 11.491 ( 0.080 0.000 -0.914) 0.918 11.671 ( 2.392 0.000 -5.629) 6.116 11.724 ( -0.116 0.000 0.763) 0.772 11.905 ( -3.936 0.000 -0.567) 3.976 12.164 ( -0.318 0.000 0.498) 0.590 12.343 ( 0.592 0.000 -2.651) 2.717 12.491 ( -1.230 0.000 2.713) 2.979 12.562 ( -0.238 0.000 0.218) 0.323 ======================= Grid point 39 (17/75) ======================= q-point: (-0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -16.871 0.000 3.331) 17.197 1.328 ( -13.254 0.000 1.955) 13.397 1.742 ( -2.821 0.000 1.569) 3.228 1.780 ( 1.925 0.000 -0.432) 1.973 1.851 ( 0.150 0.000 -2.700) 2.704 1.890 ( 7.137 0.000 11.588) 13.610 2.063 ( 1.608 0.000 0.206) 1.621 2.091 ( -1.993 0.000 -0.071) 1.994 2.124 ( -3.075 0.000 1.849) 3.588 2.272 ( 3.737 0.000 0.433) 3.762 2.280 ( 2.515 0.000 0.813) 2.643 2.325 ( -2.957 0.000 -0.758) 3.052 2.412 ( 4.594 0.000 9.394) 10.457 2.434 ( 8.805 0.000 5.075) 10.163 2.511 ( 0.347 0.000 -6.487) 6.497 2.546 ( -23.298 0.000 2.405) 23.422 2.643 ( 5.132 0.000 -7.243) 8.877 2.643 ( -5.557 0.000 -4.851) 7.377 2.847 ( 6.038 0.000 1.582) 6.242 2.926 ( 3.704 0.000 -2.253) 4.335 2.984 ( -0.294 0.000 -3.600) 3.612 3.090 ( 1.931 0.000 -4.884) 5.252 3.152 ( -1.484 0.000 -1.263) 1.949 3.237 ( 6.213 0.000 0.229) 6.217 3.301 ( -0.617 0.000 -5.247) 5.283 3.306 ( -2.432 0.000 -3.391) 4.173 3.516 ( 0.462 0.000 -0.383) 0.600 3.537 ( 6.079 0.000 3.097) 6.822 3.648 ( -1.107 0.000 3.148) 3.337 3.735 ( -0.002 0.000 0.578) 0.578 3.780 ( -0.749 0.000 2.375) 2.490 3.826 ( -0.767 0.000 -0.640) 0.999 3.870 ( 3.354 0.000 -0.083) 3.355 4.124 ( 2.198 0.000 1.824) 2.857 4.215 ( -2.356 0.000 -3.178) 3.956 4.264 ( -0.031 0.000 -1.057) 1.057 4.523 ( 1.456 0.000 1.200) 1.887 4.591 ( -1.290 0.000 -0.908) 1.577 4.694 ( 0.506 0.000 -1.155) 1.261 4.741 ( -1.897 0.000 0.836) 2.073 4.825 ( 0.619 0.000 -0.207) 0.653 4.864 ( -0.636 0.000 -2.652) 2.727 5.034 ( -0.263 0.000 2.193) 2.209 5.130 ( 0.684 0.000 0.810) 1.060 5.162 ( 1.117 0.000 2.598) 2.828 5.203 ( 1.563 0.000 1.705) 2.312 5.269 ( -2.249 0.000 -0.112) 2.251 5.415 ( -1.179 0.000 -6.384) 6.492 5.480 ( -2.385 0.000 -1.753) 2.960 5.551 ( -3.335 0.000 -2.612) 4.236 5.630 ( -2.483 0.000 1.037) 2.690 5.687 ( -0.367 0.000 2.992) 3.015 5.872 ( -0.245 0.000 0.744) 0.783 5.885 ( -1.388 0.000 1.663) 2.166 5.911 ( 4.198 0.000 -0.647) 4.247 6.008 ( 1.765 0.000 3.771) 4.163 6.018 ( -0.398 0.000 1.175) 1.240 6.172 ( 1.002 0.000 -1.082) 1.474 6.176 ( -3.829 0.000 0.071) 3.829 6.226 ( 3.743 0.000 -2.662) 4.593 6.278 ( 1.886 0.000 1.525) 2.425 6.379 ( 2.525 0.000 0.453) 2.565 6.465 ( 3.958 0.000 3.556) 5.321 6.496 ( 1.453 0.000 -0.903) 1.710 6.606 ( -1.701 0.000 -1.404) 2.206 6.729 ( -3.465 0.000 -2.399) 4.215 6.831 ( 2.722 0.000 4.223) 5.024 6.906 ( -2.903 0.000 1.161) 3.127 6.950 ( -0.111 0.000 0.515) 0.527 6.973 ( -3.914 0.000 2.073) 4.429 7.098 ( 0.737 0.000 2.094) 2.220 7.252 ( 2.013 0.000 -1.777) 2.685 7.255 ( 0.742 0.000 0.270) 0.789 7.427 ( 0.355 0.000 0.005) 0.355 7.443 ( 3.063 0.000 -1.596) 3.454 7.589 ( -1.626 0.000 -1.838) 2.454 8.238 ( 0.868 0.000 0.833) 1.204 8.463 ( 2.573 0.000 -1.410) 2.934 8.488 ( 0.014 0.000 -0.617) 0.617 8.590 ( 2.989 0.000 -0.601) 3.049 10.204 ( -0.428 0.000 0.194) 0.470 10.227 ( 0.784 0.000 0.724) 1.067 10.306 ( -0.600 0.000 0.395) 0.719 10.323 ( 1.095 0.000 0.557) 1.228 10.334 ( -1.018 0.000 -0.334) 1.072 10.416 ( 0.179 0.000 2.189) 2.196 10.445 ( 0.142 0.000 -0.590) 0.607 10.592 ( 2.838 0.000 2.463) 3.758 11.486 ( -0.205 0.000 -1.050) 1.070 11.682 ( 1.123 0.000 -7.331) 7.417 11.709 ( -1.555 0.000 0.053) 1.556 11.831 ( -3.490 0.000 -1.109) 3.662 12.160 ( -0.321 0.000 0.367) 0.488 12.348 ( 0.924 0.000 -2.585) 2.745 12.494 ( 0.434 0.000 2.765) 2.799 12.568 ( 0.636 0.000 0.428) 0.767 ======================= Grid point 40 (18/75) ======================= q-point: (-0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -19.391 0.000 9.480) 21.584 0.987 ( -22.112 0.000 3.281) 22.354 1.646 ( -4.936 0.000 0.445) 4.956 1.690 ( -23.903 0.000 12.059) 26.772 1.880 ( -6.204 0.000 0.817) 6.258 1.911 ( 2.867 0.000 1.000) 3.037 2.024 ( -5.655 0.000 -0.491) 5.676 2.105 ( 1.997 0.000 5.053) 5.433 2.117 ( 0.724 0.000 3.571) 3.644 2.161 ( -6.264 0.000 2.643) 6.799 2.192 ( -5.080 0.000 -0.270) 5.087 2.358 ( 2.692 0.000 0.606) 2.759 2.361 ( 5.239 0.000 -2.850) 5.964 2.537 ( 4.347 0.000 7.262) 8.464 2.540 ( -0.501 0.000 -5.245) 5.269 2.605 ( 5.857 0.000 3.810) 6.987 2.619 ( 7.078 0.000 -2.509) 7.509 2.712 ( 4.376 0.000 -7.059) 8.305 2.936 ( -1.623 0.000 -4.364) 4.656 2.950 ( 0.553 0.000 -2.327) 2.392 3.039 ( 8.577 0.000 1.996) 8.806 3.083 ( 1.798 0.000 -3.838) 4.238 3.177 ( 6.326 0.000 -3.621) 7.289 3.237 ( -3.038 0.000 -4.801) 5.682 3.294 ( 2.071 0.000 -5.684) 6.049 3.385 ( 6.877 0.000 1.285) 6.996 3.517 ( -0.186 0.000 -1.842) 1.851 3.638 ( 2.693 0.000 0.984) 2.867 3.638 ( -1.045 0.000 3.555) 3.705 3.664 ( -3.854 0.000 -1.330) 4.077 3.802 ( -1.912 0.000 -0.695) 2.035 3.823 ( 0.827 0.000 3.382) 3.481 3.966 ( 4.829 0.000 0.090) 4.830 4.140 ( -3.176 0.000 -1.628) 3.569 4.215 ( 6.975 0.000 2.669) 7.469 4.256 ( -1.123 0.000 -1.282) 1.705 4.543 ( -2.569 0.000 -3.091) 4.020 4.570 ( 2.950 0.000 2.104) 3.624 4.697 ( 0.452 0.000 -1.730) 1.789 4.709 ( -2.047 0.000 2.414) 3.165 4.824 ( -0.705 0.000 -0.752) 1.030 4.831 ( -1.321 0.000 -3.000) 3.278 5.055 ( 1.353 0.000 3.510) 3.762 5.160 ( 2.108 0.000 2.739) 3.457 5.191 ( 0.359 0.000 2.988) 3.009 5.195 ( -4.981 0.000 0.172) 4.984 5.246 ( 1.959 0.000 2.719) 3.351 5.359 ( -1.955 0.000 -5.093) 5.455 5.450 ( -0.316 0.000 -2.303) 2.325 5.472 ( -2.562 0.000 -5.383) 5.961 5.584 ( -2.710 0.000 1.949) 3.339 5.667 ( -2.426 0.000 1.298) 2.752 5.858 ( -1.264 0.000 -0.514) 1.364 5.871 ( -1.116 0.000 1.750) 2.076 6.005 ( 4.455 0.000 0.676) 4.506 6.008 ( -0.999 0.000 1.352) 1.681 6.048 ( 0.904 0.000 3.602) 3.713 6.123 ( -1.574 0.000 -0.290) 1.601 6.182 ( 0.810 0.000 -0.502) 0.953 6.292 ( 4.057 0.000 -1.411) 4.295 6.319 ( 1.621 0.000 1.243) 2.042 6.442 ( 3.227 0.000 2.448) 4.050 6.494 ( -1.479 0.000 1.932) 2.433 6.539 ( 3.272 0.000 -2.710) 4.249 6.634 ( -4.752 0.000 -2.963) 5.600 6.674 ( 7.539 0.000 1.548) 7.696 6.856 ( -2.963 0.000 2.169) 3.672 6.886 ( -3.432 0.000 3.277) 4.745 6.900 ( 1.110 0.000 1.150) 1.599 6.944 ( -0.370 0.000 -0.468) 0.596 7.120 ( 0.826 0.000 1.802) 1.983 7.267 ( -0.159 0.000 0.451) 0.478 7.293 ( 2.573 0.000 -1.742) 3.108 7.440 ( 0.986 0.000 -0.586) 1.147 7.479 ( -0.277 0.000 -2.638) 2.652 7.582 ( 3.159 0.000 -0.705) 3.237 8.241 ( -1.034 0.000 1.516) 1.835 8.503 ( 2.329 0.000 -2.226) 3.222 8.513 ( 2.543 0.000 -0.101) 2.545 8.650 ( 3.309 0.000 -1.387) 3.588 10.202 ( 0.191 0.000 -0.047) 0.197 10.250 ( 0.938 0.000 0.281) 0.979 10.293 ( -0.990 0.000 0.345) 1.049 10.315 ( -0.546 0.000 -0.034) 0.547 10.354 ( 1.786 0.000 0.607) 1.887 10.426 ( 0.007 0.000 1.752) 1.752 10.442 ( -0.148 0.000 -0.594) 0.613 10.674 ( 4.630 0.000 6.314) 7.830 11.479 ( 0.035 0.000 -0.944) 0.945 11.649 ( -1.573 0.000 -9.748) 9.874 11.669 ( -2.446 0.000 -0.050) 2.446 11.758 ( -3.788 0.000 -2.759) 4.687 12.156 ( -0.150 0.000 0.426) 0.451 12.356 ( 0.799 0.000 -2.363) 2.494 12.527 ( 1.972 0.000 2.926) 3.529 12.586 ( 0.985 0.000 0.503) 1.106 ======================= Grid point 41 (19/75) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -21.216 0.000 11.290) 24.033 0.609 ( -16.291 0.000 19.129) 25.126 1.105 ( -35.719 0.000 26.197) 44.296 1.590 ( -1.625 0.000 3.417) 3.784 1.845 ( -1.192 0.000 0.856) 1.467 1.906 ( -6.116 0.000 0.666) 6.152 1.937 ( -0.976 0.000 2.137) 2.349 2.064 ( -4.103 0.000 3.253) 5.236 2.100 ( -0.290 0.000 -0.584) 0.652 2.166 ( 0.462 0.000 3.290) 3.322 2.217 ( 3.361 0.000 -0.062) 3.361 2.409 ( 1.916 0.000 -7.392) 7.636 2.416 ( 3.719 0.000 -2.487) 4.474 2.572 ( 3.418 0.000 2.280) 4.109 2.590 ( -1.444 0.000 3.351) 3.649 2.672 ( 2.853 0.000 -2.238) 3.626 2.764 ( 7.569 0.000 -2.333) 7.920 2.789 ( 5.076 0.000 -0.503) 5.101 2.887 ( -1.137 0.000 -2.649) 2.883 2.945 ( -0.643 0.000 -6.752) 6.783 3.117 ( 2.394 0.000 -0.855) 2.542 3.121 ( 2.519 0.000 -0.919) 2.681 3.154 ( -2.707 0.000 -4.617) 5.352 3.324 ( 2.760 0.000 -4.376) 5.174 3.375 ( 7.881 0.000 5.813) 9.793 3.494 ( 3.498 0.000 1.986) 4.023 3.496 ( 0.577 0.000 -1.994) 2.076 3.606 ( -1.956 0.000 -0.159) 1.963 3.643 ( -1.583 0.000 -1.081) 1.917 3.662 ( 3.511 0.000 1.002) 3.652 3.746 ( -2.907 0.000 -0.919) 3.048 3.819 ( -1.730 0.000 0.911) 1.955 4.024 ( 1.588 0.000 -0.341) 1.624 4.096 ( -1.446 0.000 -2.079) 2.532 4.204 ( -4.027 0.000 1.100) 4.174 4.366 ( 5.745 0.000 1.150) 5.858 4.498 ( -0.581 0.000 -2.737) 2.798 4.653 ( 4.376 0.000 0.203) 4.381 4.679 ( -2.145 0.000 2.585) 3.359 4.694 ( 0.029 0.000 -3.028) 3.029 4.798 ( -0.839 0.000 -3.536) 3.634 4.799 ( -1.114 0.000 -1.847) 2.157 5.069 ( -4.302 0.000 2.046) 4.763 5.114 ( -0.335 0.000 3.107) 3.125 5.184 ( -1.617 0.000 0.949) 1.875 5.261 ( 4.978 0.000 4.926) 7.003 5.264 ( -1.566 0.000 -0.238) 1.584 5.355 ( 3.124 0.000 -1.060) 3.299 5.429 ( 0.538 0.000 -3.212) 3.257 5.477 ( 6.758 0.000 3.748) 7.728 5.555 ( -1.300 0.000 3.336) 3.581 5.618 ( -2.471 0.000 1.076) 2.695 5.805 ( -3.985 0.000 -0.800) 4.064 5.870 ( 0.905 0.000 1.494) 1.747 5.999 ( -4.310 0.000 3.001) 5.252 6.017 ( 2.582 0.000 3.767) 4.566 6.110 ( 2.993 0.000 -1.226) 3.234 6.110 ( 0.117 0.000 1.105) 1.111 6.225 ( 4.169 0.000 0.175) 4.172 6.344 ( 0.335 0.000 1.072) 1.123 6.361 ( 3.047 0.000 2.055) 3.675 6.459 ( -4.022 0.000 2.052) 4.516 6.491 ( 1.510 0.000 -0.533) 1.601 6.579 ( 1.417 0.000 -3.368) 3.654 6.591 ( 3.401 0.000 -2.290) 4.101 6.778 ( -1.118 0.000 1.441) 1.824 6.804 ( -3.687 0.000 1.829) 4.116 6.819 ( -0.327 0.000 1.910) 1.938 6.945 ( 0.732 0.000 0.676) 0.997 6.962 ( 3.205 0.000 0.669) 3.274 7.146 ( 1.214 0.000 1.675) 2.069 7.248 ( -1.710 0.000 0.308) 1.738 7.337 ( 2.876 0.000 -1.077) 3.071 7.431 ( -2.626 0.000 -2.638) 3.722 7.455 ( 0.870 0.000 -1.221) 1.499 7.667 ( 3.928 0.000 -2.206) 4.505 8.208 ( -2.813 0.000 0.529) 2.863 8.534 ( 1.362 0.000 -2.844) 3.153 8.563 ( 2.642 0.000 -0.272) 2.656 8.669 ( -1.793 0.000 -6.927) 7.156 10.213 ( 0.977 0.000 -0.017) 0.977 10.249 ( -0.704 0.000 0.067) 0.707 10.272 ( -1.134 0.000 -0.111) 1.140 10.325 ( 1.172 0.000 -0.000) 1.172 10.388 ( 1.480 0.000 0.548) 1.578 10.426 ( -0.633 0.000 1.131) 1.296 10.437 ( -0.249 0.000 -0.307) 0.396 10.795 ( 2.051 0.000 -2.398) 3.156 11.482 ( 0.581 0.000 -0.896) 1.068 11.540 ( -3.585 0.000 -5.492) 6.558 11.627 ( -1.839 0.000 0.901) 2.048 11.680 ( -2.843 0.000 -0.334) 2.863 12.157 ( 0.023 0.000 0.592) 0.592 12.359 ( 0.525 0.000 -2.204) 2.265 12.590 ( 3.531 0.000 3.178) 4.751 12.604 ( 0.580 0.000 0.431) 0.722 ======================= Grid point 42 (20/75) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -8.179 20.599 12.705) 25.547 0.736 ( 0.800 17.948 18.983) 26.137 1.202 ( 2.022 31.550 26.415) 41.197 1.415 ( 0.181 -14.996 9.113) 17.549 1.543 ( -3.148 -18.292 4.361) 19.067 1.934 ( -1.407 4.682 -3.181) 5.833 1.968 ( 0.196 1.402 -3.781) 4.037 2.067 ( -0.691 4.171 -0.909) 4.324 2.163 ( -1.601 1.517 1.582) 2.715 2.181 ( -0.152 2.995 -0.450) 3.032 2.287 ( -0.418 2.937 2.274) 3.738 2.339 ( -0.604 -6.656 -6.590) 9.386 2.449 ( -1.826 -1.732 -2.381) 3.465 2.534 ( 1.512 -2.235 1.401) 3.041 2.585 ( -1.295 -4.668 0.232) 4.850 2.720 ( 0.864 0.402 -3.930) 4.044 2.772 ( -2.304 -7.420 -1.811) 7.978 2.797 ( 0.722 -1.750 1.450) 2.385 2.866 ( -0.701 1.506 -2.889) 3.333 2.955 ( -0.102 3.434 -1.659) 3.815 3.086 ( 3.412 1.578 -0.629) 3.811 3.135 ( 0.033 -1.858 -0.055) 1.859 3.218 ( 1.148 -4.721 -0.667) 4.905 3.245 ( 4.445 -3.947 -2.972) 6.646 3.376 ( 2.414 -2.214 -0.651) 3.339 3.438 ( 1.260 -4.145 2.177) 4.849 3.506 ( 0.730 -4.108 0.945) 4.278 3.573 ( -2.420 -2.301 0.618) 3.396 3.651 ( 0.701 0.187 -0.179) 0.747 3.715 ( 4.377 -4.690 -2.018) 6.725 3.815 ( 0.607 0.782 0.881) 1.325 3.846 ( 0.209 7.825 1.380) 7.949 3.986 ( -2.459 -1.754 -3.054) 4.295 4.063 ( -4.469 0.784 -0.939) 4.633 4.243 ( 1.824 5.966 0.856) 6.297 4.347 ( -0.159 -0.676 3.397) 3.468 4.548 ( 0.403 2.885 -2.104) 3.593 4.614 ( -0.129 -0.298 1.974) 2.000 4.656 ( -1.805 -0.422 -4.313) 4.695 4.692 ( 0.097 0.588 -0.410) 0.723 4.769 ( 0.873 -0.071 -3.607) 3.712 4.777 ( -0.221 -0.220 -3.966) 3.978 5.017 ( -1.970 2.410 1.824) 3.607 5.129 ( -1.478 -0.890 3.520) 3.920 5.162 ( -1.362 -0.027 0.776) 1.567 5.177 ( -0.432 -1.727 0.689) 1.909 5.315 ( -0.829 3.078 -1.265) 3.429 5.389 ( 0.880 -0.099 -1.776) 1.984 5.510 ( 3.380 1.305 2.543) 4.427 5.554 ( -0.128 -0.875 4.017) 4.114 5.568 ( -0.455 -0.372 1.680) 1.780 5.635 ( 4.859 -4.886 6.772) 9.661 5.779 ( 0.410 2.365 0.830) 2.540 5.871 ( -0.889 -1.693 0.896) 2.111 5.940 ( -2.583 1.635 1.513) 3.411 6.065 ( 0.539 -3.279 1.091) 3.498 6.113 ( 2.067 -2.350 1.930) 3.677 6.124 ( -2.275 -5.452 6.836) 9.035 6.290 ( 0.272 0.392 0.001) 0.478 6.316 ( -2.419 0.184 -0.573) 2.493 6.402 ( 1.130 3.041 1.948) 3.784 6.493 ( 1.523 0.798 0.711) 1.860 6.559 ( 3.376 1.378 -0.496) 3.680 6.565 ( 0.518 -2.871 -0.918) 3.059 6.634 ( -1.520 -3.245 0.681) 3.648 6.648 ( 0.742 -1.758 -0.074) 1.910 6.715 ( -4.379 -0.759 -1.272) 4.623 6.779 ( -2.738 -2.955 -1.288) 4.229 6.975 ( 0.386 0.671 1.181) 1.412 6.992 ( 0.843 0.144 2.612) 2.749 7.096 ( -1.662 2.063 0.479) 2.692 7.196 ( 0.469 -3.297 -0.008) 3.330 7.428 ( -1.207 4.610 -0.688) 4.815 7.446 ( 2.790 3.799 -0.150) 4.716 7.521 ( 0.176 5.452 -2.980) 6.216 7.727 ( 1.524 -0.003 -6.137) 6.324 8.138 ( -0.901 -2.690 0.613) 2.903 8.242 ( -1.185 -9.890 0.975) 10.008 8.752 ( -0.442 11.164 -3.874) 11.825 8.919 ( -2.154 10.993 -18.106) 21.291 10.237 ( 1.484 0.431 -0.188) 1.557 10.248 ( 2.776 0.143 -0.576) 2.839 10.293 ( -1.449 2.458 -0.400) 2.881 10.347 ( -0.254 0.748 0.026) 0.791 10.368 ( -8.420 -1.395 0.345) 8.541 10.397 ( -3.050 -1.241 0.069) 3.294 10.415 ( -0.229 0.654 0.756) 1.025 10.454 ( -1.785 -0.984 -0.380) 2.073 11.510 ( -0.048 2.056 -1.274) 2.419 11.599 ( 0.862 -1.807 0.108) 2.005 11.623 ( 0.781 -0.729 0.284) 1.105 11.660 ( 8.415 -6.050 7.103) 12.564 12.352 ( 1.612 7.114 -7.834) 10.704 12.387 ( 0.615 2.469 -2.844) 3.816 12.592 ( -0.355 -1.229 0.342) 1.324 12.622 ( -0.345 -2.668 1.425) 3.044 ======================= Grid point 43 (21/75) ======================= q-point: ( 0.14 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 12.183 9.359 12.217) 19.628 0.936 ( 11.415 11.401 18.123) 24.264 1.477 ( 2.197 -16.585 6.207) 17.844 1.507 ( 11.935 12.344 15.245) 22.962 1.555 ( 7.460 -5.217 8.592) 12.518 1.908 ( -0.206 4.553 -3.070) 5.495 1.977 ( 2.393 3.986 -4.198) 6.264 2.031 ( -3.513 0.245 0.936) 3.644 2.155 ( 0.788 -1.608 -1.224) 2.169 2.178 ( 1.199 6.261 -0.030) 6.375 2.230 ( -4.818 0.053 -2.330) 5.352 2.309 ( -0.087 1.828 -4.178) 4.561 2.425 ( -0.442 2.523 -1.737) 3.095 2.504 ( -3.419 1.001 -2.143) 4.158 2.550 ( -3.869 -2.777 -0.785) 4.827 2.636 ( -5.548 0.308 -3.145) 6.385 2.741 ( -1.627 -4.121 -0.551) 4.465 2.805 ( -0.107 2.400 -2.077) 3.176 2.863 ( 1.512 -6.188 -0.540) 6.393 2.918 ( -1.759 -0.732 1.007) 2.155 3.098 ( -2.995 -6.375 -0.004) 7.043 3.169 ( 0.821 2.014 0.628) 2.264 3.207 ( 1.370 -8.008 -1.108) 8.199 3.304 ( 0.511 -1.105 0.642) 1.376 3.392 ( -0.244 -0.345 0.324) 0.532 3.456 ( -0.100 -4.225 3.950) 5.785 3.476 ( -1.624 -0.991 -1.394) 2.358 3.572 ( -0.061 -4.736 0.883) 4.818 3.672 ( -0.801 0.984 -2.960) 3.220 3.742 ( -2.247 1.253 -1.860) 3.175 3.778 ( -0.467 -3.237 1.991) 3.829 3.866 ( -2.049 -0.147 1.723) 2.681 3.943 ( 0.884 1.857 -3.883) 4.394 4.058 ( 2.576 -0.628 -2.503) 3.646 4.282 ( 2.629 7.313 1.297) 7.879 4.354 ( -0.555 4.051 2.541) 4.814 4.539 ( -1.086 -0.167 -0.474) 1.197 4.600 ( -1.632 -2.124 -2.084) 3.394 4.641 ( 1.902 2.694 -0.283) 3.309 4.695 ( 0.604 0.430 -1.174) 1.388 4.771 ( 1.014 0.383 -2.754) 2.959 4.786 ( 2.084 0.001 -3.274) 3.881 5.011 ( 0.740 2.342 -0.006) 2.456 5.113 ( -0.805 -2.246 1.926) 3.067 5.144 ( -0.809 -0.191 0.776) 1.137 5.160 ( -1.431 -0.844 0.721) 1.811 5.297 ( -0.561 4.203 -0.529) 4.273 5.408 ( 1.664 -0.742 -0.545) 1.901 5.550 ( 0.580 -0.608 2.504) 2.642 5.559 ( 0.306 -1.038 3.084) 3.268 5.610 ( 1.641 0.936 3.385) 3.876 5.675 ( -0.484 -0.891 2.375) 2.583 5.831 ( 1.902 -0.510 2.907) 3.511 5.862 ( 0.391 -1.027 -0.300) 1.139 5.924 ( 0.129 1.296 0.950) 1.613 6.045 ( -2.370 -3.722 0.284) 4.421 6.074 ( -3.182 -1.679 3.203) 4.817 6.134 ( -1.622 -4.309 1.167) 4.749 6.235 ( -4.736 -0.842 1.789) 5.132 6.275 ( -2.377 -1.702 0.078) 2.925 6.410 ( -1.536 4.272 -0.080) 4.540 6.453 ( -3.536 2.562 -0.586) 4.405 6.504 ( -4.747 -2.276 -0.210) 5.269 6.620 ( -0.590 -2.380 0.098) 2.454 6.636 ( -2.473 0.648 1.022) 2.754 6.664 ( 6.546 -0.953 0.151) 6.617 6.682 ( 3.218 -2.732 -2.541) 4.927 6.761 ( -1.538 -2.074 1.317) 2.898 6.993 ( 1.161 0.772 1.380) 1.962 7.015 ( -0.040 -0.123 3.963) 3.965 7.089 ( 0.155 0.797 -1.188) 1.439 7.192 ( -0.187 -4.211 -0.884) 4.307 7.401 ( -1.447 4.969 -0.534) 5.203 7.475 ( 0.063 2.636 -1.706) 3.140 7.537 ( 2.529 6.440 -1.410) 7.061 7.713 ( -1.262 2.836 -3.582) 4.739 8.128 ( -0.131 -1.953 0.123) 1.961 8.258 ( 2.004 -10.463 -0.114) 10.654 8.648 ( -6.536 11.034 -4.787) 13.689 8.780 ( -4.787 8.304 -8.509) 12.817 10.237 ( -2.358 1.431 0.306) 2.775 10.263 ( 0.217 0.373 0.982) 1.073 10.291 ( 0.314 0.183 -0.485) 0.606 10.311 ( 2.912 0.405 -0.782) 3.042 10.354 ( 0.034 -0.500 0.180) 0.533 10.378 ( 0.895 -0.388 -0.549) 1.119 10.416 ( -0.042 0.996 0.394) 1.072 10.448 ( 0.090 -0.082 -0.522) 0.536 11.504 ( 0.101 1.710 -0.956) 1.962 11.602 ( 0.749 -2.274 -2.304) 3.323 11.670 ( 2.793 0.756 2.366) 3.738 11.825 ( 4.943 -9.352 3.004) 10.996 12.322 ( -1.695 7.017 -5.541) 9.100 12.379 ( -0.283 1.935 -2.627) 3.274 12.568 ( -3.625 -1.524 1.983) 4.403 12.578 ( -2.086 -1.629 1.076) 2.857 ======================= Grid point 44 (22/75) ======================= q-point: ( 0.29 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 17.048 0.207 8.963) 19.262 1.252 ( 14.234 6.881 14.231) 21.271 1.557 ( 6.339 -16.437 2.518) 17.796 1.661 ( 6.223 -8.488 4.426) 11.418 1.803 ( 4.918 5.331 2.230) 7.588 1.873 ( -3.277 2.718 -0.240) 4.264 1.968 ( 0.024 4.266 2.312) 4.853 2.055 ( 3.921 0.837 -0.543) 4.046 2.137 ( -2.518 2.831 -4.022) 5.526 2.154 ( 1.147 -0.291 -3.052) 3.273 2.236 ( -0.477 3.368 -0.044) 3.402 2.306 ( 2.421 1.565 -5.049) 5.814 2.389 ( -3.929 3.299 -0.022) 5.131 2.419 ( -5.535 0.995 -0.031) 5.623 2.501 ( 6.546 9.064 2.886) 11.547 2.561 ( -1.228 0.456 -3.662) 3.890 2.684 ( -3.975 -0.439 -1.977) 4.461 2.806 ( -0.221 -1.914 -2.232) 2.948 2.828 ( -0.847 0.754 -0.342) 1.185 2.973 ( 1.726 -5.078 0.432) 5.380 3.043 ( -0.259 -3.825 0.245) 3.842 3.113 ( -3.314 -10.027 -1.626) 10.685 3.252 ( -2.062 -1.880 0.882) 2.927 3.266 ( -2.852 2.357 2.139) 4.274 3.365 ( -1.971 0.646 0.846) 2.240 3.437 ( -0.372 3.251 0.022) 3.272 3.479 ( -1.177 -3.999 -0.137) 4.170 3.525 ( -5.490 -1.066 -0.503) 5.615 3.647 ( -0.630 -5.431 0.107) 5.468 3.683 ( -2.783 0.999 -2.807) 4.077 3.767 ( -2.165 -2.092 4.071) 5.063 3.790 ( -3.467 -4.066 0.979) 5.433 3.984 ( 2.557 2.901 -2.916) 4.844 4.064 ( -0.788 -1.736 -1.414) 2.373 4.329 ( -1.843 7.226 -1.033) 7.529 4.351 ( 3.379 6.015 -0.229) 6.903 4.514 ( -1.013 -0.594 0.561) 1.301 4.565 ( -1.216 -1.785 -0.642) 2.253 4.696 ( 3.071 0.783 0.495) 3.208 4.712 ( 1.308 -0.856 -0.098) 1.566 4.789 ( 1.599 0.896 -2.422) 3.038 4.818 ( 2.353 -0.308 -2.443) 3.406 5.030 ( 1.160 1.421 -0.720) 1.971 5.108 ( -0.726 -1.960 0.811) 2.242 5.138 ( 0.201 0.149 1.924) 1.940 5.153 ( 0.368 -0.442 0.419) 0.712 5.291 ( -0.024 3.274 -0.272) 3.286 5.432 ( 0.557 -2.795 -1.397) 3.174 5.563 ( 0.457 0.414 0.975) 1.153 5.597 ( 2.454 0.577 2.508) 3.556 5.628 ( -1.035 -0.440 1.019) 1.518 5.673 ( -0.291 0.057 2.595) 2.612 5.847 ( -0.811 -0.131 2.915) 3.028 5.869 ( -0.071 -1.126 0.417) 1.203 5.934 ( -0.256 -0.061 0.615) 0.669 6.003 ( -0.866 -1.821 0.387) 2.053 6.032 ( -2.273 0.571 1.125) 2.600 6.108 ( -0.403 -2.545 -1.088) 2.797 6.176 ( -1.773 0.620 0.511) 1.947 6.228 ( -2.048 -1.746 -0.387) 2.719 6.344 ( -2.187 0.261 -2.381) 3.243 6.387 ( -4.642 0.216 -1.063) 4.767 6.460 ( -0.378 4.680 0.208) 4.700 6.597 ( -2.557 1.215 0.980) 2.996 6.626 ( 0.905 -3.590 1.647) 4.052 6.661 ( -2.719 -2.733 0.099) 3.857 6.788 ( 3.514 0.515 0.922) 3.669 6.795 ( 5.698 -1.105 1.398) 5.970 7.002 ( -1.423 0.832 3.161) 3.565 7.028 ( -0.816 -2.499 3.710) 4.546 7.065 ( -0.974 1.337 -2.008) 2.602 7.192 ( 0.339 -5.158 -1.565) 5.401 7.371 ( -1.343 5.272 -0.707) 5.486 7.451 ( -1.495 2.966 -2.659) 4.255 7.563 ( -0.073 5.731 -0.854) 5.795 7.664 ( -2.231 2.633 -0.554) 3.495 8.145 ( 1.812 -1.407 -0.614) 2.375 8.291 ( 1.522 -9.969 -0.641) 10.105 8.544 ( -2.867 6.034 -2.414) 7.103 8.673 ( -3.790 3.713 -4.448) 6.924 10.217 ( -0.444 0.599 0.295) 0.802 10.259 ( -0.702 0.563 0.467) 1.014 10.290 ( -0.229 -0.810 0.546) 1.004 10.326 ( -0.824 -0.939 -0.092) 1.253 10.358 ( 0.407 1.474 1.006) 1.831 10.396 ( -0.107 -0.340 0.552) 0.658 10.436 ( 1.514 0.779 -0.537) 1.786 10.467 ( 3.056 -0.360 -1.642) 3.488 11.507 ( 0.434 1.710 -0.957) 2.007 11.614 ( 1.548 -2.670 -3.191) 4.440 11.722 ( 1.742 1.555 1.425) 2.736 11.876 ( 0.257 -6.496 0.873) 6.560 12.268 ( -2.020 6.455 -2.075) 7.074 12.363 ( -0.121 1.306 -2.881) 3.166 12.509 ( -2.987 -0.917 2.880) 4.249 12.553 ( -1.186 -2.041 0.410) 2.396 ======================= Grid point 45 (23/75) ======================= q-point: ( 0.43 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 5.411 0.593 5.841) 7.984 1.478 ( 1.205 0.657 10.500) 10.589 1.680 ( 2.811 1.754 -0.730) 3.393 1.748 ( 1.944 0.725 -1.874) 2.796 1.825 ( 2.335 -0.156 4.419) 5.001 1.887 ( 7.193 -5.208 1.819) 9.065 2.019 ( -0.477 -3.090 3.530) 4.716 2.030 ( -3.708 0.726 -1.397) 4.028 2.095 ( 1.471 -1.831 -3.136) 3.918 2.190 ( -0.642 -3.587 1.458) 3.925 2.220 ( 3.795 5.121 -1.184) 6.482 2.276 ( -1.324 -4.574 2.189) 5.241 2.357 ( -0.757 7.211 -1.303) 7.367 2.383 ( 1.335 0.174 -1.451) 1.979 2.526 ( -0.864 0.129 -3.281) 3.395 2.615 ( 0.276 1.991 -6.991) 7.274 2.709 ( 1.768 -1.483 -0.132) 2.312 2.785 ( 3.985 5.649 -0.142) 6.914 2.885 ( 6.859 5.476 2.504) 9.127 2.962 ( -0.133 -0.389 -3.302) 3.327 3.031 ( -3.945 -8.247 -2.292) 9.425 3.072 ( -2.581 3.629 0.947) 4.553 3.161 ( -7.294 2.921 -0.981) 7.918 3.194 ( -3.376 -3.155 -0.605) 4.660 3.334 ( -2.175 0.547 -0.269) 2.259 3.399 ( -5.122 -0.169 -1.087) 5.238 3.423 ( 1.767 -2.454 -0.014) 3.024 3.510 ( -7.345 -7.805 -3.264) 11.204 3.527 ( 2.787 -4.754 3.362) 6.455 3.666 ( -0.391 0.608 1.474) 1.642 3.737 ( -1.571 0.167 2.538) 2.990 3.799 ( 0.159 -3.352 3.857) 5.112 4.000 ( 0.997 -1.309 -1.733) 2.389 4.048 ( -0.158 0.660 -0.373) 0.774 4.297 ( -0.148 6.946 -3.711) 7.877 4.389 ( 0.559 6.555 -1.001) 6.654 4.514 ( 0.760 0.491 0.603) 1.087 4.548 ( -0.701 -2.332 0.902) 2.597 4.724 ( -0.075 -0.692 0.156) 0.713 4.738 ( 0.624 -0.172 -0.215) 0.682 4.811 ( 1.612 0.084 -1.989) 2.562 4.849 ( 1.382 -0.761 -1.283) 2.034 5.046 ( 0.629 1.011 -0.368) 1.246 5.102 ( -0.279 -0.899 1.540) 1.805 5.154 ( 0.520 0.371 1.373) 1.514 5.171 ( 1.232 0.137 0.790) 1.470 5.287 ( -0.392 1.017 -0.561) 1.226 5.416 ( -0.482 -3.719 -3.602) 5.200 5.564 ( -3.977 1.051 -0.879) 4.206 5.580 ( -0.178 0.828 -1.063) 1.358 5.660 ( 1.846 -0.032 3.318) 3.797 5.677 ( -0.547 0.196 2.239) 2.313 5.841 ( -0.548 -0.937 1.874) 2.166 5.859 ( -1.221 -2.057 2.507) 3.465 5.929 ( 0.663 2.384 -0.850) 2.616 6.010 ( -0.306 1.919 1.445) 2.421 6.018 ( 1.188 -0.406 -0.018) 1.256 6.114 ( 1.528 -3.213 -1.331) 3.799 6.170 ( 0.993 0.217 -0.665) 1.214 6.200 ( -0.771 -1.161 0.098) 1.397 6.312 ( -2.483 0.568 -0.101) 2.550 6.330 ( 1.088 -1.008 -1.485) 2.099 6.458 ( 0.469 4.888 0.449) 4.931 6.533 ( -3.561 2.188 0.684) 4.235 6.634 ( -0.957 -2.265 0.235) 2.470 6.660 ( 0.934 -4.310 2.164) 4.912 6.839 ( 1.736 2.039 0.802) 2.795 6.891 ( 3.006 -1.487 2.783) 4.357 6.975 ( -3.022 -1.479 2.004) 3.916 6.979 ( -2.876 -1.215 1.070) 3.300 7.078 ( 1.181 0.586 0.858) 1.573 7.189 ( 0.130 -4.206 -1.255) 4.391 7.347 ( -0.786 6.528 -1.099) 6.667 7.421 ( 0.173 2.079 -2.293) 3.100 7.538 ( -1.444 6.375 -0.783) 6.583 7.632 ( -1.271 0.846 -1.013) 1.832 8.180 ( 1.752 -1.857 0.169) 2.558 8.314 ( 1.099 -9.010 -0.390) 9.085 8.511 ( -0.224 3.536 -0.836) 3.641 8.617 ( -0.337 1.559 -2.767) 3.194 10.216 ( 0.268 0.853 0.154) 0.908 10.245 ( -0.968 1.454 0.608) 1.850 10.292 ( 0.328 -1.485 0.607) 1.637 10.309 ( -0.839 -0.784 0.367) 1.206 10.359 ( -0.411 0.880 0.262) 1.006 10.392 ( -0.451 -0.825 1.048) 1.408 10.462 ( 1.248 1.688 0.041) 2.100 10.523 ( 2.807 -1.005 -0.217) 2.989 11.509 ( 0.114 1.753 -1.234) 2.147 11.629 ( 1.218 -3.419 -4.007) 5.406 11.743 ( 0.157 1.685 0.196) 1.703 11.858 ( -1.964 -3.608 -0.166) 4.111 12.236 ( -0.839 5.606 -0.691) 5.710 12.356 ( 0.531 0.778 -2.964) 3.110 12.480 ( -1.257 -0.718 2.870) 3.214 12.540 ( -0.315 -2.147 0.503) 2.228 ======================= Grid point 46 (24/75) ======================= q-point: (-0.43 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -14.127 3.953 4.519) 15.350 1.393 ( -12.808 4.416 5.294) 14.545 1.639 ( -8.272 -5.976 -0.143) 10.206 1.765 ( 0.180 -4.568 1.511) 4.815 1.890 ( 0.483 1.871 1.629) 2.527 1.952 ( 0.489 -2.341 4.616) 5.199 1.991 ( 3.124 5.423 4.326) 7.608 2.130 ( 5.522 3.903 2.700) 7.281 2.159 ( 3.377 -1.438 -2.437) 4.406 2.201 ( -0.943 -2.866 1.704) 3.465 2.293 ( 4.364 -2.147 0.200) 4.868 2.331 ( 4.149 -4.882 6.720) 9.285 2.345 ( -0.975 3.713 -2.203) 4.426 2.406 ( 5.057 0.493 0.636) 5.120 2.536 ( 2.947 1.239 -4.457) 5.485 2.633 ( 2.435 3.238 -7.867) 8.849 2.697 ( 0.053 0.697 -1.685) 1.824 2.741 ( -18.402 11.587 0.720) 21.758 2.784 ( -1.754 -0.891 0.534) 2.039 2.963 ( 2.508 -0.707 -4.942) 5.587 2.999 ( -3.811 -3.268 -2.799) 5.747 3.051 ( 3.154 0.334 -4.433) 5.451 3.098 ( 0.402 -4.952 1.087) 5.086 3.212 ( 4.938 1.055 -0.232) 5.055 3.277 ( -3.715 -3.729 -2.291) 5.741 3.321 ( -0.586 0.283 -3.889) 3.943 3.402 ( -2.414 -7.923 -1.423) 8.404 3.515 ( 5.583 -3.288 0.991) 6.555 3.608 ( 1.730 -5.767 3.120) 6.781 3.665 ( -0.164 0.494 1.620) 1.702 3.749 ( 2.847 -1.834 2.393) 4.147 3.806 ( 0.261 2.683 3.692) 4.571 4.025 ( 1.494 1.328 -1.561) 2.536 4.056 ( 1.334 -0.872 1.548) 2.222 4.286 ( -0.148 6.483 -3.886) 7.560 4.371 ( -1.428 6.752 -2.499) 7.340 4.526 ( -0.407 0.398 1.335) 1.452 4.563 ( 2.348 -1.875 1.146) 3.216 4.702 ( -2.058 0.119 -0.251) 2.077 4.736 ( -0.121 0.224 -1.014) 1.045 4.826 ( 0.483 -1.511 -1.882) 2.462 4.852 ( -0.663 -0.458 -0.366) 0.885 5.053 ( 0.453 1.252 0.363) 1.380 5.106 ( 0.053 -0.641 1.350) 1.495 5.166 ( 0.120 -1.433 1.848) 2.342 5.195 ( 0.266 0.005 1.802) 1.821 5.273 ( -0.348 1.377 -0.503) 1.507 5.402 ( 0.329 -2.299 -3.878) 4.520 5.477 ( -4.088 0.886 -2.138) 4.698 5.543 ( -2.504 -1.101 -2.164) 3.488 5.656 ( -1.966 1.923 0.631) 2.822 5.691 ( -0.586 0.243 2.559) 2.636 5.841 ( -0.188 -1.733 1.739) 2.462 5.852 ( -0.504 -1.648 2.444) 2.991 5.957 ( 2.369 2.957 -0.472) 3.818 6.016 ( -0.507 0.345 1.544) 1.661 6.040 ( 1.704 1.193 1.047) 2.329 6.131 ( -0.571 -3.331 -0.467) 3.411 6.184 ( 0.856 0.889 0.155) 1.243 6.226 ( 3.227 0.051 -0.375) 3.249 6.307 ( 1.856 1.498 0.240) 2.397 6.364 ( 2.781 -1.402 -0.033) 3.114 6.489 ( -0.031 1.906 2.105) 2.840 6.501 ( 2.328 1.493 -0.917) 2.914 6.607 ( -1.198 -0.280 0.251) 1.255 6.653 ( -2.377 -4.280 0.971) 4.991 6.865 ( -0.250 0.946 1.941) 2.173 6.908 ( -1.529 -0.409 2.201) 2.711 6.934 ( -2.601 -1.771 1.055) 3.319 6.949 ( 0.455 -0.243 0.705) 0.873 7.101 ( 0.862 0.296 1.152) 1.469 7.194 ( 0.796 -3.863 -0.897) 4.045 7.343 ( 0.786 6.432 -0.990) 6.555 7.450 ( 3.093 1.945 -0.943) 3.774 7.517 ( -0.136 5.292 -1.766) 5.581 7.601 ( -1.155 0.644 -2.301) 2.654 8.203 ( 0.304 -2.573 1.268) 2.885 8.325 ( 0.028 -9.483 0.052) 9.483 8.528 ( 2.294 4.308 -0.584) 4.916 8.646 ( 4.253 1.376 -1.899) 4.856 10.219 ( -0.539 1.402 0.095) 1.505 10.239 ( 0.685 1.091 0.580) 1.413 10.296 ( -0.793 -0.896 0.588) 1.333 10.309 ( 1.269 -1.236 0.479) 1.836 10.349 ( -0.495 1.167 -0.100) 1.272 10.395 ( 0.358 -1.252 0.935) 1.603 10.476 ( -0.025 2.171 0.520) 2.233 10.571 ( 2.041 -1.950 2.058) 3.493 11.501 ( -0.309 1.567 -1.399) 2.123 11.623 ( -0.237 -4.155 -4.598) 6.202 11.731 ( -1.363 1.411 -0.865) 2.144 11.810 ( -2.754 -1.931 -1.202) 3.572 12.231 ( 0.643 5.831 -0.710) 5.909 12.361 ( 1.178 0.783 -2.912) 3.238 12.482 ( 0.324 -0.755 2.979) 3.090 12.545 ( 0.574 -2.184 0.698) 2.363 ======================= Grid point 47 (25/75) ======================= q-point: (-0.29 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -16.645 8.586 9.337) 20.928 1.095 ( -18.951 9.702 6.633) 22.300 1.495 ( -6.674 -11.278 3.322) 13.519 1.677 ( -6.773 -16.693 4.547) 18.579 1.875 ( -16.661 13.351 7.488) 22.625 1.955 ( 1.248 5.804 2.570) 6.469 2.075 ( -4.670 2.466 -2.058) 5.668 2.100 ( 3.054 2.946 4.663) 6.305 2.146 ( -3.878 -0.496 0.235) 3.916 2.213 ( 1.714 1.098 -0.201) 2.045 2.269 ( -5.143 6.395 -0.360) 8.215 2.327 ( 1.692 -0.484 -2.417) 2.990 2.429 ( 2.011 5.197 -0.191) 5.576 2.478 ( 4.421 -3.983 3.621) 6.965 2.573 ( 3.792 0.004 -0.483) 3.822 2.604 ( 0.924 3.219 -2.718) 4.313 2.682 ( 4.419 3.019 0.782) 5.408 2.740 ( 3.742 2.788 -3.778) 6.004 2.824 ( 4.892 -6.661 -0.201) 8.267 2.918 ( -3.718 -5.269 -2.943) 7.088 2.994 ( 4.790 -6.732 -1.829) 8.462 3.079 ( 2.202 -2.338 -3.297) 4.603 3.124 ( 1.894 -4.769 -4.476) 6.809 3.224 ( 1.065 -5.482 -2.358) 6.062 3.294 ( -1.493 1.300 -3.670) 4.170 3.310 ( 3.036 1.010 0.806) 3.299 3.399 ( 3.441 -5.173 -2.394) 6.658 3.594 ( 1.128 1.105 2.066) 2.600 3.605 ( 0.071 -6.149 0.037) 6.149 3.689 ( 1.599 -3.081 -0.196) 3.477 3.819 ( 0.065 1.588 2.361) 2.846 3.844 ( 2.991 1.604 1.777) 3.831 4.029 ( -0.156 4.380 -0.117) 4.384 4.131 ( 5.320 -2.243 2.097) 6.143 4.252 ( -1.780 4.904 -2.260) 5.685 4.318 ( -3.019 4.173 -3.604) 6.286 4.533 ( 0.635 1.171 2.000) 2.402 4.614 ( 1.681 2.074 -1.114) 2.893 4.661 ( -1.327 -1.007 0.851) 1.871 4.731 ( -0.038 0.456 -1.227) 1.310 4.809 ( -1.192 -1.624 -2.236) 3.009 4.834 ( -0.997 -0.821 -0.927) 1.589 5.077 ( 1.701 1.621 1.713) 2.907 5.115 ( 0.088 -1.689 2.648) 3.142 5.151 ( -2.723 -2.504 1.292) 3.918 5.193 ( -0.620 -1.408 3.155) 3.511 5.299 ( 2.838 3.746 1.332) 4.885 5.378 ( -1.999 1.519 -3.782) 4.540 5.418 ( -0.243 -1.136 -3.350) 3.546 5.497 ( -1.247 -0.284 -2.010) 2.382 5.606 ( -3.353 2.103 0.686) 4.017 5.662 ( -2.753 -0.486 1.023) 2.977 5.839 ( -0.678 -0.766 0.766) 1.278 5.858 ( -0.037 -1.092 2.112) 2.378 5.999 ( -0.791 -0.242 1.374) 1.604 6.008 ( 1.544 0.046 1.533) 2.177 6.084 ( 2.190 1.374 1.339) 2.911 6.108 ( -1.173 -1.081 0.132) 1.600 6.201 ( 0.551 1.977 1.546) 2.569 6.279 ( 2.276 -0.811 0.193) 2.424 6.368 ( 4.210 3.054 -1.074) 5.311 6.428 ( 3.108 -1.440 1.409) 3.704 6.482 ( -1.408 -0.321 1.894) 2.382 6.534 ( 1.701 -0.200 -2.494) 3.026 6.595 ( -2.419 -1.389 -1.136) 3.012 6.663 ( 5.526 -1.479 1.450) 5.901 6.828 ( -3.558 -1.238 2.632) 4.596 6.851 ( -4.225 -2.372 2.593) 5.496 6.944 ( 1.461 2.026 1.003) 2.692 6.960 ( 0.468 1.197 0.093) 1.288 7.118 ( 0.624 -0.174 0.918) 1.124 7.203 ( 0.015 -4.532 -0.738) 4.592 7.362 ( 1.438 5.808 -0.467) 6.001 7.483 ( -0.187 2.844 -0.942) 3.002 7.523 ( 1.138 3.809 -2.799) 4.862 7.605 ( 3.663 0.748 -2.695) 4.608 8.200 ( -1.237 -3.147 1.751) 3.808 8.314 ( -1.219 -11.070 0.088) 11.137 8.595 ( 5.129 7.040 -1.148) 8.785 8.753 ( 7.620 3.168 -2.831) 8.724 10.208 ( -0.337 0.790 0.063) 0.862 10.249 ( -0.521 -0.384 0.083) 0.653 10.297 ( 1.143 0.622 0.643) 1.451 10.334 ( 0.297 0.642 -0.310) 0.773 10.348 ( 1.112 0.463 0.815) 1.455 10.409 ( 0.680 -1.151 0.748) 1.532 10.465 ( -1.189 1.911 0.420) 2.290 10.619 ( 1.582 -4.716 4.411) 6.649 11.491 ( -0.093 1.164 -1.178) 1.659 11.585 ( -1.774 -3.841 -4.995) 6.546 11.686 ( -2.870 0.893 -1.211) 3.240 11.743 ( -3.753 -1.416 -1.988) 4.477 12.257 ( 2.603 7.310 -1.900) 7.989 12.374 ( 1.212 1.422 -2.797) 3.364 12.515 ( 1.919 -0.974 3.032) 3.718 12.564 ( 1.036 -2.107 0.842) 2.494 ======================= Grid point 48 (26/75) ======================= q-point: (-0.14 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -9.105 17.487 15.168) 24.874 0.803 ( -14.074 14.983 13.881) 24.804 1.393 ( -17.868 10.509 11.726) 23.817 1.434 ( -13.228 2.115 10.405) 16.962 1.599 ( -4.876 -18.595 6.159) 20.186 1.962 ( -0.427 6.985 -2.600) 7.466 2.013 ( -2.727 0.909 -2.701) 3.944 2.088 ( -1.615 2.057 -0.852) 2.751 2.161 ( 1.219 0.887 3.135) 3.479 2.193 ( -1.541 5.141 0.645) 5.406 2.267 ( 1.220 3.240 1.854) 3.928 2.352 ( 1.607 -5.874 -5.242) 8.035 2.465 ( 2.024 4.595 -0.816) 5.087 2.515 ( -1.331 -8.432 1.324) 8.638 2.589 ( 0.416 -0.439 0.404) 0.727 2.668 ( 4.477 0.954 -2.169) 5.065 2.755 ( 2.967 -2.505 0.636) 3.935 2.816 ( 3.374 0.528 -3.039) 4.571 2.845 ( -0.886 -7.240 -1.133) 7.382 2.922 ( 4.083 3.393 -1.437) 5.500 3.076 ( 1.134 -4.289 -3.368) 5.570 3.116 ( 1.522 -1.133 -2.447) 3.097 3.135 ( 3.935 -2.767 0.262) 4.817 3.233 ( -0.110 -4.406 -2.715) 5.176 3.314 ( 4.535 -3.258 -1.651) 5.823 3.369 ( 3.918 1.329 0.254) 4.145 3.482 ( 3.951 -7.005 0.051) 8.043 3.588 ( -0.044 -4.466 1.742) 4.794 3.637 ( 2.459 0.080 -2.568) 3.557 3.684 ( -2.029 -0.034 -1.389) 2.459 3.807 ( -1.169 3.012 1.347) 3.501 3.863 ( -0.952 3.180 0.206) 3.326 4.025 ( -0.768 2.312 0.788) 2.560 4.180 ( -5.321 2.222 -3.009) 6.504 4.208 ( 1.035 1.300 1.057) 1.970 4.307 ( 3.300 -2.406 1.625) 4.395 4.549 ( 0.299 4.502 -0.791) 4.581 4.607 ( -0.209 0.390 0.751) 0.872 4.674 ( 0.859 -1.330 -0.251) 1.603 4.717 ( -1.189 0.175 -2.293) 2.589 4.779 ( -0.675 -0.795 -2.626) 2.825 4.804 ( -1.054 -0.957 -3.460) 3.742 5.070 ( -4.067 0.345 2.127) 4.602 5.119 ( 1.201 0.973 2.925) 3.308 5.164 ( 1.146 -2.919 4.712) 5.660 5.185 ( -1.343 -1.651 1.648) 2.691 5.333 ( -0.725 2.857 -2.184) 3.669 5.369 ( 2.688 0.924 -0.919) 2.987 5.435 ( 3.428 0.827 -0.081) 3.527 5.496 ( 2.664 1.058 1.361) 3.173 5.557 ( -1.839 0.253 2.674) 3.255 5.608 ( -2.967 -1.015 0.698) 3.213 5.813 ( -2.526 1.449 0.435) 2.944 5.866 ( 0.483 -0.421 1.582) 1.707 5.991 ( -1.277 -0.388 2.215) 2.586 6.017 ( -0.737 -0.525 4.024) 4.125 6.094 ( -0.279 -0.815 0.546) 1.020 6.127 ( 1.205 -0.598 1.351) 1.907 6.238 ( 3.366 1.713 1.052) 3.921 6.322 ( 1.913 -1.504 0.891) 2.591 6.396 ( -2.206 3.036 0.581) 3.797 6.463 ( 3.157 1.210 -0.386) 3.403 6.521 ( 2.354 -0.214 1.682) 2.901 6.547 ( -0.694 -1.869 -3.081) 3.669 6.574 ( 3.317 0.517 -2.262) 4.048 6.718 ( -2.966 -4.250 0.331) 5.193 6.773 ( -2.286 -1.052 2.791) 3.758 6.818 ( -0.370 -1.771 1.938) 2.652 6.964 ( 0.397 1.474 1.057) 1.857 6.972 ( 0.731 1.018 0.596) 1.387 7.127 ( -0.759 -0.772 1.123) 1.560 7.188 ( -0.425 -4.078 -0.642) 4.150 7.395 ( 2.263 5.611 -0.188) 6.053 7.459 ( -1.365 3.145 -1.596) 3.782 7.527 ( 0.446 4.645 -2.555) 5.320 7.687 ( 4.863 -1.306 -3.944) 6.396 8.170 ( -2.402 -3.020 1.077) 4.006 8.280 ( -2.366 -11.853 0.385) 12.093 8.701 ( 5.993 10.372 -2.727) 12.286 8.892 ( 8.428 6.489 -9.115) 14.008 10.213 ( 0.991 0.130 -0.155) 1.012 10.233 ( -0.688 -0.714 0.045) 0.993 10.319 ( -0.813 3.306 -0.019) 3.404 10.331 ( 1.148 0.662 0.038) 1.326 10.382 ( 1.456 -0.537 0.638) 1.678 10.419 ( -0.362 -0.666 1.032) 1.281 10.442 ( -0.893 0.534 -0.220) 1.063 10.622 ( -5.208 -10.495 1.431) 11.803 11.496 ( 1.242 1.152 -0.096) 1.697 11.537 ( -0.424 -0.277 -1.957) 2.022 11.623 ( -2.881 -0.039 0.243) 2.891 11.666 ( -3.267 -1.301 -0.784) 3.603 12.313 ( 4.401 8.625 -5.197) 10.989 12.384 ( 0.807 2.043 -2.605) 3.407 12.573 ( 2.830 -1.326 2.574) 4.049 12.586 ( 0.970 -1.638 0.994) 2.147 ======================= Grid point 49 (27/75) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -2.046 -16.742 11.562) 20.449 1.069 ( -2.046 16.742 11.562) 20.449 1.136 ( -3.533 -19.898 9.209) 22.209 1.136 ( -3.533 19.898 9.209) 22.209 1.871 ( -0.356 -25.297 7.610) 26.420 1.871 ( -0.356 25.297 7.610) 26.420 2.011 ( -0.182 -8.523 -2.437) 8.867 2.011 ( -0.182 8.523 -2.437) 8.867 2.172 ( -2.314 -3.104 -3.603) 5.289 2.172 ( -2.314 3.104 -3.603) 5.289 2.254 ( 3.427 -6.339 1.244) 7.312 2.254 ( 3.427 6.339 1.244) 7.312 2.414 ( -1.341 -5.541 1.224) 5.831 2.414 ( -1.341 5.541 1.224) 5.831 2.634 ( -0.852 -6.190 -2.153) 6.609 2.634 ( -0.852 6.190 -2.153) 6.609 2.773 ( 0.138 -2.765 -1.019) 2.950 2.773 ( 0.138 2.765 -1.019) 2.950 2.972 ( -1.077 -5.016 -2.340) 5.639 2.972 ( -1.077 5.016 -2.340) 5.639 3.091 ( -1.202 -1.269 -1.421) 2.253 3.091 ( -1.202 1.269 -1.421) 2.253 3.196 ( 5.042 -2.476 -1.203) 5.744 3.196 ( 5.042 2.476 -1.203) 5.744 3.356 ( 2.356 -3.758 1.098) 4.570 3.356 ( 2.356 3.758 1.098) 4.570 3.500 ( -1.103 -3.344 0.628) 3.577 3.500 ( -1.103 3.344 0.628) 3.577 3.663 ( 2.340 -1.372 -1.789) 3.249 3.663 ( 2.340 1.372 -1.789) 3.249 3.856 ( -0.870 -2.974 0.497) 3.139 3.856 ( -0.870 2.974 0.497) 3.139 4.035 ( -2.966 -3.545 -0.696) 4.674 4.035 ( -2.966 3.545 -0.696) 4.674 4.327 ( 2.706 -2.257 1.382) 3.784 4.327 ( 2.706 2.257 1.382) 3.784 4.599 ( -2.114 -2.185 -1.242) 3.284 4.599 ( -2.114 2.185 -1.242) 3.284 4.673 ( 1.163 -1.999 -1.894) 2.989 4.673 ( 1.163 1.999 -1.894) 2.989 4.773 ( 0.738 -0.256 -3.927) 4.004 4.773 ( 0.738 0.256 -3.927) 4.004 5.078 ( -1.756 -3.354 3.189) 4.950 5.078 ( -1.756 3.354 3.189) 4.950 5.167 ( -0.744 -0.568 1.388) 1.674 5.167 ( -0.744 0.568 1.388) 1.674 5.371 ( 0.574 -2.038 -1.995) 2.909 5.371 ( 0.574 2.038 -1.995) 2.909 5.535 ( -0.926 -0.953 2.607) 2.926 5.535 ( -0.926 0.953 2.607) 2.926 5.575 ( 3.866 -1.558 4.620) 6.223 5.575 ( 3.866 1.558 4.620) 6.223 5.831 ( -0.824 -2.443 0.318) 2.598 5.831 ( -0.824 2.443 0.318) 2.598 5.985 ( -1.760 -3.175 3.205) 4.843 5.985 ( -1.760 3.175 3.205) 4.843 6.092 ( -0.819 -0.677 2.153) 2.402 6.092 ( -0.819 0.677 2.153) 2.402 6.309 ( -1.135 -0.901 -0.817) 1.663 6.309 ( -1.135 0.901 -0.817) 1.663 6.481 ( 2.392 -4.380 0.286) 4.999 6.481 ( 2.392 4.380 0.286) 4.999 6.552 ( 0.350 -4.043 -0.086) 4.059 6.552 ( 0.350 4.043 -0.086) 4.059 6.607 ( -0.413 -2.213 -0.087) 2.253 6.607 ( -0.413 2.213 -0.087) 2.253 6.727 ( -3.169 -1.924 -1.312) 3.932 6.727 ( -3.169 1.924 -1.312) 3.932 6.991 ( 0.570 -0.499 1.938) 2.081 6.991 ( 0.570 0.499 1.938) 2.081 7.138 ( -0.055 -2.330 -0.079) 2.332 7.138 ( -0.055 2.330 -0.079) 2.332 7.497 ( 0.171 -0.956 -1.200) 1.544 7.497 ( 0.171 0.956 -1.200) 1.544 7.639 ( 2.095 -6.625 -2.804) 7.493 7.639 ( 2.095 6.625 -2.804) 7.493 8.118 ( -0.793 -1.997 1.232) 2.477 8.118 ( -0.793 1.997 1.232) 2.477 8.935 ( -0.459 -6.115 -8.884) 10.795 8.935 ( -0.459 6.115 -8.884) 10.795 10.245 ( 2.399 -0.366 -0.297) 2.445 10.245 ( 2.399 0.366 -0.297) 2.445 10.336 ( -3.766 -1.841 -0.148) 4.194 10.336 ( -3.766 1.841 -0.148) 4.194 10.368 ( -1.522 -1.371 0.134) 2.052 10.368 ( -1.522 1.371 0.134) 2.052 10.435 ( 0.101 -1.127 0.058) 1.133 10.435 ( 0.101 1.127 0.058) 1.133 11.557 ( 0.272 -2.402 -0.929) 2.590 11.557 ( 0.272 2.402 -0.929) 2.590 11.611 ( 2.616 -0.138 3.187) 4.126 11.611 ( 2.616 0.138 3.187) 4.126 12.419 ( 0.712 -0.633 -4.788) 4.882 12.419 ( 0.712 0.633 -4.788) 4.882 12.582 ( -0.466 -0.806 1.043) 1.398 12.582 ( -0.466 0.806 1.043) 1.398 ======================= Grid point 51 (28/75) ======================= q-point: ( 0.14 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 1.953 -20.151 5.297) 20.927 1.073 ( 1.953 20.151 5.297) 20.927 1.217 ( 6.620 -14.669 13.750) 21.168 1.217 ( 6.620 14.669 13.750) 21.168 1.934 ( 1.206 -8.763 2.941) 9.321 1.934 ( 1.206 8.763 2.941) 9.321 2.026 ( 1.755 -10.182 -3.076) 10.780 2.026 ( 1.755 10.182 -3.076) 10.780 2.127 ( 0.119 -4.929 -1.867) 5.272 2.127 ( 0.119 4.929 -1.867) 5.272 2.342 ( 3.321 -8.629 -1.465) 9.361 2.342 ( 3.321 8.629 -1.465) 9.361 2.417 ( 3.032 -6.888 2.458) 7.917 2.417 ( 3.032 6.888 2.458) 7.917 2.590 ( -2.440 -4.911 -2.257) 5.930 2.590 ( -2.440 4.911 -2.257) 5.930 2.715 ( -4.429 -3.239 -0.801) 5.545 2.715 ( -4.429 3.239 -0.801) 5.545 2.927 ( -2.320 -6.374 0.117) 6.784 2.927 ( -2.320 6.374 0.117) 6.784 3.021 ( -4.422 -5.668 -1.570) 7.358 3.021 ( -4.422 5.668 -1.570) 7.358 3.286 ( 3.074 -4.465 0.920) 5.498 3.286 ( 3.074 4.465 0.920) 5.498 3.390 ( -0.020 -2.450 1.369) 2.807 3.390 ( -0.020 2.450 1.369) 2.807 3.481 ( 0.188 -2.661 2.300) 3.523 3.481 ( 0.188 2.661 2.300) 3.523 3.704 ( 0.477 -2.536 -2.954) 3.923 3.704 ( 0.477 2.536 -2.954) 3.923 3.796 ( -4.075 -3.461 -1.139) 5.466 3.796 ( -4.075 3.461 -1.139) 5.466 4.027 ( 1.396 -3.085 -0.977) 3.525 4.027 ( 1.396 3.085 -0.977) 3.525 4.381 ( 2.470 -1.884 0.916) 3.239 4.381 ( 2.470 1.884 0.916) 3.239 4.557 ( -1.890 -1.819 -1.225) 2.895 4.557 ( -1.890 1.819 -1.225) 2.895 4.683 ( 0.843 -1.328 -2.092) 2.617 4.683 ( 0.843 1.328 -2.092) 2.617 4.782 ( 1.513 -0.422 -2.321) 2.803 4.782 ( 1.513 0.422 -2.321) 2.803 5.064 ( -0.560 -2.683 1.378) 3.068 5.064 ( -0.560 2.683 1.378) 3.068 5.148 ( -1.193 -0.589 1.221) 1.806 5.148 ( -1.193 0.589 1.221) 1.806 5.374 ( 0.280 -2.962 -1.326) 3.257 5.374 ( 0.280 2.962 -1.326) 3.257 5.542 ( 0.586 -0.263 3.444) 3.503 5.542 ( 0.586 0.263 3.444) 3.503 5.643 ( 1.109 -2.031 3.720) 4.381 5.643 ( 1.109 2.031 3.720) 4.381 5.837 ( 0.846 -1.087 1.084) 1.753 5.837 ( 0.846 1.087 1.084) 1.753 5.965 ( -1.105 -3.019 1.792) 3.681 5.965 ( -1.105 3.019 1.792) 3.681 6.076 ( -1.403 -1.568 1.222) 2.433 6.076 ( -1.403 1.568 1.222) 2.433 6.251 ( -3.342 -1.311 -0.892) 3.699 6.251 ( -3.342 1.311 -0.892) 3.699 6.459 ( -5.210 -2.000 -0.987) 5.668 6.459 ( -5.210 2.000 -0.987) 5.668 6.545 ( 0.267 -5.204 0.345) 5.222 6.545 ( 0.267 5.204 0.345) 5.222 6.649 ( 3.116 -0.804 -1.975) 3.776 6.649 ( 3.116 0.804 -1.975) 3.776 6.695 ( 0.756 -3.751 2.159) 4.393 6.695 ( 0.756 3.751 2.159) 4.393 7.010 ( 0.233 -0.890 2.122) 2.313 7.010 ( 0.233 0.890 2.122) 2.313 7.123 ( -0.958 -2.538 -0.898) 2.858 7.123 ( -0.958 2.538 -0.898) 2.858 7.488 ( -0.567 -2.340 -1.637) 2.911 7.488 ( -0.567 2.340 -1.637) 2.911 7.663 ( 0.908 -5.809 -1.498) 6.067 7.663 ( 0.908 5.809 -1.498) 6.067 8.123 ( 0.839 -2.705 0.905) 2.973 8.123 ( 0.839 2.705 0.905) 2.973 8.814 ( -7.287 -4.382 -7.407) 11.277 8.814 ( -7.287 4.382 -7.407) 11.277 10.260 ( -2.075 -0.735 1.322) 2.567 10.260 ( -2.075 0.735 1.322) 2.567 10.302 ( 1.581 -0.815 -1.594) 2.389 10.302 ( 1.581 0.815 -1.594) 2.389 10.364 ( 0.876 -0.961 -0.292) 1.333 10.364 ( 0.876 0.961 -0.292) 1.333 10.437 ( 0.111 -0.948 0.011) 0.955 10.437 ( 0.111 0.948 0.011) 0.955 11.549 ( 0.206 -2.686 -1.292) 2.988 11.549 ( 0.206 2.686 -1.292) 2.988 11.705 ( 4.286 -3.290 3.073) 6.216 11.705 ( 4.286 3.290 3.073) 6.216 12.400 ( -0.778 -0.911 -4.582) 4.736 12.400 ( -0.778 0.911 -4.582) 4.736 12.551 ( -2.796 -0.367 1.671) 3.278 12.551 ( -2.796 0.367 1.671) 3.278 ======================= Grid point 53 (29/75) ======================= q-point: ( 0.29 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 10.934 -13.277 7.233) 18.658 1.232 ( 10.934 13.277 7.233) 18.658 1.441 ( 12.066 -11.007 9.265) 18.777 1.441 ( 12.066 11.007 9.265) 18.777 1.888 ( -4.659 -1.852 -1.556) 5.249 1.888 ( -4.659 1.852 -1.556) 5.249 2.056 ( 1.545 -2.981 0.350) 3.376 2.056 ( 1.545 2.981 0.350) 3.376 2.148 ( 1.043 -2.821 -3.913) 4.936 2.148 ( 1.043 2.821 -3.913) 4.936 2.300 ( -4.849 -2.177 -4.654) 7.065 2.300 ( -4.849 2.177 -4.654) 7.065 2.454 ( -0.004 -4.966 -0.238) 4.971 2.454 ( -0.004 4.966 -0.238) 4.971 2.580 ( -1.566 -5.311 -2.989) 6.293 2.580 ( -1.566 5.311 -2.989) 6.293 2.733 ( 7.297 -12.157 2.140) 14.339 2.733 ( 7.297 12.157 2.140) 14.339 2.885 ( -1.012 -5.437 1.085) 5.636 2.885 ( -1.012 5.437 1.085) 5.636 2.958 ( -0.740 -1.767 0.859) 2.099 2.958 ( -0.740 1.767 0.859) 2.099 3.281 ( -3.593 -2.263 2.208) 4.786 3.281 ( -3.593 2.263 2.208) 4.786 3.382 ( -1.810 -3.137 0.765) 3.701 3.382 ( -1.810 3.137 0.765) 3.701 3.523 ( 1.198 -3.164 -0.554) 3.428 3.523 ( 1.198 3.164 -0.554) 3.428 3.614 ( -5.407 -4.381 1.361) 7.091 3.614 ( -5.407 4.381 1.361) 7.091 3.744 ( -2.367 -3.337 -1.873) 4.499 3.744 ( -2.367 3.337 -1.873) 4.499 4.037 ( -0.151 -2.016 -1.132) 2.317 4.037 ( -0.151 2.016 -1.132) 2.317 4.414 ( 1.078 -1.172 -2.619) 3.065 4.414 ( 1.078 1.172 -2.619) 3.065 4.532 ( -0.217 -1.918 0.715) 2.059 4.532 ( -0.217 1.918 0.715) 2.059 4.695 ( 0.920 -0.066 -0.458) 1.030 4.695 ( 0.920 0.066 -0.458) 1.030 4.808 ( 1.830 -0.688 -1.630) 2.546 4.808 ( 1.830 0.688 -1.630) 2.546 5.067 ( 0.425 -2.070 -0.031) 2.114 5.067 ( 0.425 2.070 -0.031) 2.114 5.146 ( 0.458 -0.477 1.723) 1.846 5.146 ( 0.458 0.477 1.723) 1.846 5.362 ( -1.094 -3.841 -1.512) 4.270 5.362 ( -1.094 3.841 -1.512) 4.270 5.583 ( 2.452 -1.340 1.764) 3.304 5.583 ( 2.452 1.340 1.764) 3.304 5.652 ( -1.030 -1.875 2.822) 3.541 5.652 ( -1.030 1.875 2.822) 3.541 5.847 ( -0.832 -0.456 2.489) 2.664 5.847 ( -0.832 0.456 2.489) 2.664 5.959 ( 0.459 -2.087 -0.444) 2.183 5.959 ( 0.459 2.087 -0.444) 2.183 6.058 ( -0.617 -2.107 0.132) 2.200 6.058 ( -0.617 2.107 0.132) 2.200 6.199 ( -1.756 -1.449 -0.665) 2.372 6.199 ( -1.756 1.449 -0.665) 2.372 6.359 ( -3.847 -1.341 -1.997) 4.537 6.359 ( -3.847 1.341 -1.997) 4.537 6.561 ( 0.763 -3.279 1.168) 3.563 6.561 ( 0.763 3.279 1.168) 3.563 6.626 ( -2.816 -1.867 0.747) 3.460 6.626 ( -2.816 1.867 0.747) 3.460 6.783 ( 5.000 -0.404 1.609) 5.268 6.783 ( 5.000 0.404 1.609) 5.268 7.003 ( -2.106 -0.398 2.599) 3.369 7.003 ( -2.106 0.398 2.599) 3.369 7.109 ( 0.211 -3.171 -1.700) 3.604 7.109 ( 0.211 3.171 -1.700) 3.604 7.463 ( -1.198 -2.561 -2.085) 3.513 7.463 ( -1.198 2.561 -2.085) 3.513 7.657 ( -1.045 -3.262 -0.780) 3.513 7.657 ( -1.045 3.262 -0.780) 3.513 8.151 ( 1.559 -3.325 0.813) 3.761 8.151 ( 1.559 3.325 0.813) 3.761 8.664 ( -5.357 -4.316 -4.445) 8.191 8.664 ( -5.357 4.316 -4.445) 8.191 10.241 ( -0.327 -1.589 0.311) 1.651 10.241 ( -0.327 1.589 0.311) 1.651 10.302 ( -0.757 -1.302 0.106) 1.510 10.302 ( -0.757 1.302 0.106) 1.510 10.384 ( 0.068 -0.997 0.699) 1.220 10.384 ( 0.068 0.997 0.699) 1.220 10.454 ( 2.175 -0.882 -0.910) 2.517 10.454 ( 2.175 0.882 -0.910) 2.517 11.555 ( 0.794 -2.979 -1.744) 3.542 11.555 ( 0.794 2.979 -1.744) 3.542 11.773 ( 1.873 -3.764 1.444) 4.445 11.773 ( 1.873 3.764 1.444) 4.445 12.362 ( -1.318 -2.412 -3.363) 4.343 12.362 ( -1.318 2.412 -3.363) 4.343 12.510 ( -2.026 -1.547 1.964) 3.218 12.510 ( -2.026 1.547 1.964) 3.218 ======================= Grid point 55 (30/75) ======================= q-point: ( 0.43 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 3.121 -5.131 9.238) 11.019 1.429 ( 3.121 5.131 9.238) 11.019 1.725 ( 12.640 -3.367 2.531) 13.323 1.725 ( 12.640 3.367 2.531) 13.323 1.811 ( -0.710 -4.310 -0.747) 4.432 1.811 ( -0.710 4.310 -0.747) 4.432 2.023 ( -7.374 -5.110 1.215) 9.054 2.023 ( -7.374 5.110 1.215) 9.054 2.103 ( 1.150 -2.661 0.095) 2.901 2.103 ( 1.150 2.661 0.095) 2.901 2.260 ( 1.267 -2.438 -2.585) 3.773 2.260 ( 1.267 2.438 -2.585) 3.773 2.454 ( -1.281 -3.065 -0.377) 3.343 2.454 ( -1.281 3.065 -0.377) 3.343 2.549 ( 1.808 -7.061 -5.710) 9.259 2.549 ( 1.808 7.061 -5.710) 9.259 2.750 ( -1.739 -6.169 -0.472) 6.426 2.750 ( -1.739 6.169 -0.472) 6.426 2.941 ( 2.234 -1.985 -3.546) 4.637 2.941 ( 2.234 1.985 -3.546) 4.637 3.062 ( 8.764 -7.466 1.141) 11.569 3.062 ( 8.764 7.466 1.141) 11.569 3.193 ( -5.670 -6.611 1.507) 8.839 3.193 ( -5.670 6.611 1.507) 8.839 3.310 ( -7.097 -4.984 1.052) 8.735 3.310 ( -7.097 4.984 1.052) 8.735 3.400 ( -5.988 -3.355 -2.676) 7.367 3.400 ( -5.988 3.355 -2.676) 7.367 3.649 ( 0.710 -8.633 5.090) 10.047 3.649 ( 0.710 8.633 5.090) 10.047 3.703 ( 0.630 -3.275 0.644) 3.396 3.703 ( 0.630 3.275 0.644) 3.396 4.027 ( 0.150 -2.735 -1.254) 3.012 4.027 ( 0.150 2.735 -1.254) 3.012 4.414 ( 0.522 -3.882 -3.124) 5.010 4.414 ( 0.522 3.882 -3.124) 5.010 4.540 ( 0.101 -1.341 0.572) 1.461 4.540 ( 0.101 1.341 0.572) 1.461 4.710 ( 0.491 -1.364 0.660) 1.593 4.710 ( 0.491 1.364 0.660) 1.593 4.830 ( 0.889 -1.276 -1.821) 2.395 4.830 ( 0.889 1.276 -1.821) 2.395 5.075 ( 0.447 -1.763 -0.234) 1.834 5.075 ( 0.447 1.763 -0.234) 1.834 5.169 ( 0.764 -0.741 1.712) 2.016 5.169 ( 0.764 0.741 1.712) 2.016 5.333 ( -0.815 -3.786 -1.608) 4.193 5.333 ( -0.815 3.786 -1.608) 4.193 5.585 ( -2.809 -0.710 -1.811) 3.417 5.585 ( -2.809 0.710 -1.811) 3.417 5.669 ( 1.518 -0.829 3.597) 3.991 5.669 ( 1.518 0.829 3.597) 3.991 5.833 ( -1.209 -0.357 2.802) 3.072 5.833 ( -1.209 0.357 2.802) 3.072 5.983 ( 2.042 -2.673 -1.076) 3.532 5.983 ( 2.042 2.673 -1.076) 3.532 6.054 ( 0.209 -2.581 -0.037) 2.590 6.054 ( 0.209 2.581 -0.037) 2.590 6.182 ( 0.330 -0.869 -0.199) 0.950 6.182 ( 0.330 0.869 -0.199) 0.950 6.313 ( -0.366 -0.463 -1.104) 1.252 6.313 ( -0.366 0.463 -1.104) 1.252 6.543 ( -2.347 -2.116 0.685) 3.233 6.543 ( -2.347 2.116 0.685) 3.233 6.612 ( 0.203 -0.941 1.739) 1.988 6.612 ( 0.203 0.941 1.739) 1.988 6.864 ( 2.603 -1.022 1.820) 3.337 6.864 ( 2.603 1.022 1.820) 3.337 6.958 ( -2.956 -0.371 1.902) 3.535 6.958 ( -2.956 0.371 1.902) 3.535 7.115 ( 0.723 -3.071 -0.878) 3.275 7.115 ( 0.723 3.071 -0.878) 3.275 7.440 ( -0.063 -1.601 -2.247) 2.760 7.440 ( -0.063 1.601 -2.247) 2.760 7.625 ( -1.638 -2.076 -1.251) 2.926 7.625 ( -1.638 2.076 -1.251) 2.926 8.180 ( 0.984 -3.207 1.194) 3.560 8.180 ( 0.984 3.207 1.194) 3.560 8.593 ( -0.718 -3.563 -2.495) 4.408 8.593 ( -0.718 3.563 -2.495) 4.408 10.244 ( 0.567 -1.656 -0.124) 1.755 10.244 ( 0.567 1.656 -0.124) 1.755 10.287 ( -0.927 -1.256 0.900) 1.802 10.287 ( -0.927 1.256 0.900) 1.802 10.376 ( -0.634 -0.812 0.518) 1.153 10.376 ( -0.634 0.812 0.518) 1.153 10.496 ( 1.996 -1.624 0.063) 2.574 10.496 ( 1.996 1.624 0.063) 2.574 11.559 ( 0.344 -3.252 -2.262) 3.976 11.559 ( 0.344 3.252 -2.262) 3.976 11.790 ( -0.293 -3.005 0.030) 3.019 11.790 ( -0.293 3.005 0.030) 3.019 12.335 ( -0.320 -3.480 -2.234) 4.148 12.335 ( -0.320 3.480 -2.234) 4.148 12.491 ( -0.704 -2.109 1.759) 2.835 12.491 ( -0.704 2.109 1.759) 2.835 ======================= Grid point 57 (31/75) ======================= q-point: (-0.43 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -9.123 -6.868 7.022) 13.405 1.381 ( -9.123 6.868 7.022) 13.405 1.621 ( -14.231 -6.350 0.460) 15.590 1.621 ( -14.231 6.350 0.460) 15.590 1.942 ( 5.138 -4.099 6.798) 9.456 1.942 ( 5.138 4.099 6.798) 9.456 2.071 ( 6.007 -4.643 -1.182) 7.684 2.071 ( 6.007 4.643 -1.182) 7.684 2.189 ( 7.721 -4.328 2.039) 9.083 2.189 ( 7.721 4.328 2.039) 9.083 2.264 ( 0.534 -2.714 0.380) 2.792 2.264 ( 0.534 2.714 0.380) 2.792 2.428 ( 0.188 -2.226 -1.812) 2.876 2.428 ( 0.188 2.226 -1.812) 2.876 2.599 ( 5.345 -6.413 -5.321) 9.900 2.599 ( 5.345 6.413 -5.321) 9.900 2.745 ( -0.203 -5.344 0.700) 5.393 2.745 ( -0.203 5.344 0.700) 5.393 2.908 ( -3.965 -3.261 -4.877) 7.081 2.908 ( -3.965 3.261 -4.877) 7.081 2.995 ( -13.759 -9.394 -1.930) 16.771 2.995 ( -13.759 9.394 -1.930) 16.771 3.111 ( 0.483 -3.824 -2.923) 4.838 3.111 ( 0.483 3.824 -2.923) 4.838 3.301 ( 3.321 -4.993 3.351) 6.869 3.301 ( 3.321 4.993 3.351) 6.869 3.379 ( 3.394 -4.601 -3.129) 6.518 3.379 ( 3.394 4.601 -3.129) 6.518 3.628 ( -1.896 -3.755 2.938) 5.131 3.628 ( -1.896 3.755 2.938) 5.131 3.775 ( 4.044 -3.801 2.797) 6.214 3.775 ( 4.044 3.801 2.797) 6.214 4.044 ( 1.689 -1.894 0.262) 2.551 4.044 ( 1.689 1.894 0.262) 2.551 4.407 ( -0.534 -3.845 -4.522) 5.959 4.407 ( -0.534 3.845 -4.522) 5.959 4.543 ( 0.543 -1.331 1.901) 2.383 4.543 ( 0.543 1.331 1.901) 2.383 4.717 ( 0.061 -2.007 0.654) 2.111 4.717 ( 0.061 2.007 0.654) 2.111 4.823 ( -0.813 -1.593 -2.060) 2.728 4.823 ( -0.813 1.593 -2.060) 2.728 5.083 ( 0.645 -1.866 -0.455) 2.026 5.083 ( 0.645 1.866 -0.455) 2.026 5.173 ( -1.183 -1.816 2.258) 3.129 5.173 ( -1.183 1.816 2.258) 3.129 5.333 ( 1.268 -3.969 -1.027) 4.291 5.333 ( 1.268 3.969 -1.027) 4.291 5.510 ( -3.482 -1.986 -2.377) 4.660 5.510 ( -3.482 1.986 -2.377) 4.660 5.685 ( -1.075 -0.901 1.244) 1.875 5.685 ( -1.075 0.901 1.244) 1.875 5.830 ( -0.361 -0.515 2.866) 2.934 5.830 ( -0.361 0.515 2.866) 2.934 6.008 ( 0.302 -1.667 0.581) 1.791 6.008 ( 0.302 1.667 0.581) 1.791 6.067 ( 1.309 -2.429 -0.647) 2.834 6.067 ( 1.309 2.429 -0.647) 2.834 6.211 ( 2.114 -1.460 1.000) 2.757 6.211 ( 2.114 1.460 1.000) 2.757 6.333 ( 2.598 -1.455 -0.214) 2.985 6.333 ( 2.598 1.455 -0.214) 2.985 6.524 ( 0.335 -0.508 -0.074) 0.613 6.524 ( 0.335 0.508 -0.074) 0.613 6.603 ( -1.589 -0.725 1.588) 2.360 6.603 ( -1.589 0.725 1.588) 2.360 6.877 ( -2.386 -1.102 2.019) 3.314 6.877 ( -2.386 1.102 2.019) 3.314 6.938 ( 0.837 -0.825 1.276) 1.735 6.938 ( 0.837 0.825 1.276) 1.735 7.127 ( 0.649 -2.552 -0.276) 2.648 7.127 ( 0.649 2.552 -0.276) 2.648 7.449 ( 1.650 -3.122 -1.644) 3.895 7.449 ( 1.650 3.122 -1.644) 3.895 7.595 ( -0.579 -1.882 -2.581) 3.246 7.595 ( -0.579 1.882 -2.581) 3.246 8.191 ( -0.528 -2.802 1.613) 3.276 8.191 ( -0.528 2.802 1.613) 3.276 8.617 ( 4.125 -3.810 -1.718) 5.873 8.617 ( 4.125 3.810 -1.718) 5.873 10.249 ( -0.512 -0.979 -0.101) 1.109 10.249 ( -0.512 0.979 -0.101) 1.109 10.285 ( 0.793 -0.677 0.998) 1.443 10.285 ( 0.793 0.677 0.998) 1.443 10.372 ( 0.149 -1.096 0.219) 1.128 10.372 ( 0.149 1.096 0.219) 1.128 10.524 ( 0.592 -2.587 1.247) 2.932 10.524 ( 0.592 2.587 1.247) 2.932 11.548 ( -0.537 -3.157 -2.557) 4.098 11.548 ( -0.537 3.157 -2.557) 4.098 11.766 ( -1.933 -2.177 -0.967) 3.067 11.766 ( -1.933 2.177 -0.967) 3.067 12.337 ( 1.407 -3.829 -2.147) 4.610 12.337 ( 1.407 3.829 -2.147) 4.610 12.495 ( 0.327 -2.239 1.889) 2.948 12.495 ( 0.327 2.239 1.889) 2.948 ======================= Grid point 59 (32/75) ======================= q-point: (-0.29 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -9.333 -13.828 8.633) 18.784 1.222 ( -9.333 13.828 8.633) 18.784 1.352 ( -14.065 -14.232 5.697) 20.804 1.352 ( -14.065 14.232 5.697) 20.804 2.038 ( 0.818 -2.136 5.779) 6.215 2.038 ( 0.818 2.136 5.779) 6.215 2.111 ( 0.672 -5.914 -0.812) 6.007 2.111 ( 0.672 5.914 -0.812) 6.007 2.201 ( -1.620 -1.753 -2.391) 3.378 2.201 ( -1.620 1.753 -2.391) 3.378 2.336 ( -2.640 -8.346 -0.792) 8.789 2.336 ( -2.640 8.346 -0.792) 8.789 2.459 ( 1.074 -3.625 0.977) 3.905 2.459 ( 1.074 3.625 0.977) 3.905 2.635 ( -3.798 -3.946 -3.055) 6.271 2.635 ( -3.798 3.946 -3.055) 6.271 2.705 ( 0.753 -2.690 4.055) 4.924 2.705 ( 0.753 2.690 4.055) 4.924 2.793 ( 2.567 -1.322 -4.790) 5.593 2.793 ( 2.567 1.322 -4.790) 5.593 2.941 ( 4.944 -6.090 -0.544) 7.863 2.941 ( 4.944 6.090 -0.544) 7.863 3.136 ( 2.681 -3.644 -5.297) 6.966 3.136 ( 2.681 3.644 -5.297) 6.966 3.327 ( 0.111 -1.611 -0.865) 1.832 3.327 ( 0.111 1.611 -0.865) 1.832 3.438 ( 2.236 -7.828 -0.263) 8.146 3.438 ( 2.236 7.828 -0.263) 8.146 3.634 ( 1.632 -2.443 0.597) 2.998 3.634 ( 1.632 2.443 0.597) 2.998 3.846 ( 1.927 -1.584 1.440) 2.881 3.846 ( 1.927 1.584 1.440) 2.881 4.087 ( 2.365 -2.081 2.021) 3.743 4.087 ( 2.365 2.081 2.021) 3.743 4.343 ( -3.723 -2.340 -4.995) 6.654 4.343 ( -3.723 2.340 -4.995) 6.654 4.585 ( 2.297 -3.130 2.800) 4.787 4.585 ( 2.297 3.130 2.800) 4.787 4.712 ( -0.935 -3.224 -0.986) 3.499 4.712 ( -0.935 3.224 -0.986) 3.499 4.794 ( -0.921 -1.016 -2.457) 2.814 4.794 ( -0.921 1.016 -2.457) 2.814 5.099 ( 0.886 -1.343 0.781) 1.789 5.099 ( 0.886 1.343 0.781) 1.789 5.150 ( -1.817 -2.449 3.227) 4.441 5.150 ( -1.817 2.449 3.227) 4.441 5.361 ( 1.773 -2.460 -1.477) 3.373 5.361 ( 1.773 2.460 -1.477) 3.373 5.455 ( -1.194 -3.303 -1.438) 3.796 5.455 ( -1.194 3.303 -1.438) 3.796 5.644 ( -3.249 -1.435 0.320) 3.566 5.644 ( -3.249 1.435 0.320) 3.566 5.839 ( 0.367 -0.598 2.020) 2.139 5.839 ( 0.367 0.598 2.020) 2.139 6.004 ( -0.843 -0.485 1.675) 1.937 6.004 ( -0.843 0.485 1.675) 1.937 6.092 ( 0.947 -0.393 0.486) 1.135 6.092 ( 0.947 0.393 0.486) 1.135 6.248 ( 1.216 -2.253 1.675) 3.060 6.248 ( 1.216 2.253 1.675) 3.060 6.401 ( 4.167 -1.036 0.477) 4.321 6.401 ( 4.167 1.036 0.477) 4.321 6.514 ( -1.367 -2.655 -1.848) 3.512 6.514 ( -1.367 2.655 -1.848) 3.512 6.614 ( 2.452 -2.953 0.774) 3.916 6.614 ( 2.452 2.953 0.774) 3.916 6.820 ( -3.865 -0.580 2.934) 4.887 6.820 ( -3.865 0.580 2.934) 4.887 6.969 ( 1.449 -0.626 0.799) 1.769 6.969 ( 1.449 0.626 0.799) 1.769 7.131 ( -0.128 -2.131 -0.253) 2.150 7.131 ( -0.128 2.131 -0.253) 2.150 7.476 ( 1.399 -4.260 -0.803) 4.555 7.476 ( 1.399 4.260 -0.803) 4.555 7.592 ( 1.502 -2.233 -3.795) 4.653 7.592 ( 1.502 2.233 -3.795) 4.653 8.174 ( -1.825 -2.161 1.682) 3.290 8.174 ( -1.825 2.161 1.682) 3.290 8.729 ( 8.133 -5.065 -2.521) 9.907 8.729 ( 8.133 5.065 -2.521) 9.907 10.231 ( -1.049 -1.270 0.105) 1.651 10.231 ( -1.049 1.270 0.105) 1.651 10.317 ( 1.898 -1.243 0.499) 2.323 10.317 ( 1.898 1.243 0.499) 2.323 10.382 ( 0.726 -1.656 0.267) 1.828 10.382 ( 0.726 1.656 0.267) 1.828 10.524 ( -1.338 -4.161 1.830) 4.738 10.524 ( -1.338 4.161 1.830) 4.738 11.525 ( -0.699 -2.288 -2.144) 3.213 11.525 ( -0.699 2.288 -2.144) 3.213 11.711 ( -3.427 -1.595 -1.323) 4.005 11.711 ( -3.427 1.595 -1.323) 4.005 12.369 ( 2.819 -3.109 -3.155) 5.250 12.369 ( 2.819 3.109 -3.155) 5.250 12.517 ( 1.275 -1.808 2.290) 3.183 12.517 ( 1.275 1.808 2.290) 3.183 ======================= Grid point 61 (33/75) ======================= q-point: (-0.14 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -6.970 -16.331 11.208) 20.998 1.112 ( -6.970 16.331 11.208) 20.998 1.182 ( -5.838 -21.454 9.440) 24.155 1.182 ( -5.838 21.454 9.440) 24.155 1.968 ( -9.364 -15.722 4.138) 18.761 1.968 ( -9.364 15.722 4.138) 18.761 2.067 ( -5.412 -12.271 -0.652) 13.427 2.067 ( -5.412 12.271 -0.652) 13.427 2.184 ( 2.008 -4.188 -0.648) 4.690 2.184 ( 2.008 4.188 -0.648) 4.690 2.236 ( -2.109 -4.312 -2.174) 5.270 2.236 ( -2.109 4.312 -2.174) 5.270 2.439 ( -1.831 -6.052 1.760) 6.563 2.439 ( -1.831 6.052 1.760) 6.563 2.638 ( 1.347 -5.041 -2.530) 5.799 2.638 ( 1.347 5.041 -2.530) 5.799 2.734 ( 2.833 -3.023 0.432) 4.166 2.734 ( 2.833 3.023 0.432) 4.166 2.921 ( 7.012 -6.240 -0.248) 9.390 2.921 ( 7.012 6.240 -0.248) 9.390 3.046 ( 5.293 -4.436 -1.331) 7.033 3.046 ( 5.293 4.436 -1.331) 7.033 3.157 ( 1.389 -3.498 -4.343) 5.747 3.157 ( 1.389 3.498 -4.343) 5.747 3.326 ( 0.707 -3.404 -1.171) 3.669 3.326 ( 0.707 3.404 -1.171) 3.669 3.477 ( 2.109 -4.901 1.203) 5.469 3.477 ( 2.109 4.901 1.203) 5.469 3.658 ( 0.439 -1.637 -1.935) 2.572 3.658 ( 0.439 1.637 -1.935) 2.572 3.857 ( -0.393 -2.399 1.172) 2.699 3.857 ( -0.393 2.399 1.172) 2.699 4.108 ( -2.580 -4.627 1.135) 5.418 4.108 ( -2.580 4.627 1.135) 5.418 4.284 ( 0.543 -2.107 -1.747) 2.790 4.284 ( 0.543 2.107 -1.747) 2.790 4.627 ( 0.424 -2.343 2.542) 3.482 4.627 ( 0.424 2.343 2.542) 3.482 4.673 ( -1.332 -3.917 -3.641) 5.512 4.673 ( -1.332 3.917 -3.641) 5.512 4.778 ( 0.308 -0.833 -3.687) 3.792 4.778 ( 0.308 0.833 -3.687) 3.792 5.101 ( -1.879 -2.491 4.315) 5.324 5.101 ( -1.879 2.491 4.315) 5.324 5.154 ( 1.105 -1.652 1.712) 2.623 5.154 ( 1.105 1.652 1.712) 2.623 5.371 ( 0.376 -0.950 -2.847) 3.025 5.371 ( 0.376 0.950 -2.847) 3.025 5.476 ( 3.255 -2.671 2.128) 4.717 5.476 ( 3.255 2.671 2.128) 4.717 5.580 ( -3.284 -1.698 0.746) 3.772 5.580 ( -3.284 1.698 0.746) 3.772 5.848 ( -0.537 -1.499 1.224) 2.008 5.848 ( -0.537 1.499 1.224) 2.008 5.997 ( -0.800 -1.059 2.883) 3.173 5.997 ( -0.800 1.059 2.883) 3.173 6.098 ( -0.723 -1.279 2.218) 2.661 6.098 ( -0.723 1.279 2.218) 2.661 6.283 ( 2.283 -2.328 0.750) 3.345 6.283 ( 2.283 2.328 0.750) 3.345 6.467 ( 0.672 -3.585 -0.182) 3.652 6.467 ( 0.672 3.585 -0.182) 3.652 6.503 ( 2.983 -2.515 -1.896) 4.338 6.503 ( 2.983 2.515 -1.896) 4.338 6.636 ( -1.056 -4.071 -0.315) 4.218 6.636 ( -1.056 4.071 -0.315) 4.218 6.777 ( -2.044 -1.547 2.712) 3.732 6.777 ( -2.044 1.547 2.712) 3.732 6.985 ( -0.138 -0.214 0.724) 0.768 6.985 ( -0.138 0.214 0.724) 0.768 7.129 ( 0.391 -1.400 -0.065) 1.455 7.129 ( 0.391 1.400 -0.065) 1.455 7.493 ( 0.672 -1.993 -0.784) 2.245 7.493 ( 0.672 1.993 -0.784) 2.245 7.613 ( 2.040 -4.711 -3.818) 6.398 7.613 ( 2.040 4.711 -3.818) 6.398 8.141 ( -2.010 -1.853 1.501) 3.118 8.141 ( -2.010 1.853 1.501) 3.118 8.879 ( 8.149 -6.256 -5.710) 11.754 8.879 ( 8.149 6.256 -5.710) 11.754 10.221 ( 0.205 -0.547 -0.096) 0.592 10.221 ( 0.205 0.547 -0.096) 0.592 10.348 ( 1.031 -0.766 -0.122) 1.290 10.348 ( 1.031 0.766 -0.122) 1.290 10.398 ( 0.362 -1.825 0.991) 2.108 10.398 ( 0.362 1.825 0.991) 2.108 10.477 ( -4.155 -4.078 0.634) 5.857 10.477 ( -4.155 4.078 0.634) 5.857 11.522 ( 1.302 -1.237 -0.228) 1.810 11.522 ( 1.302 1.237 -0.228) 1.810 11.637 ( -3.559 -1.337 -0.568) 3.844 11.637 ( -3.559 1.337 -0.568) 3.844 12.407 ( 2.376 -0.967 -4.407) 5.099 12.407 ( 2.376 0.967 -4.407) 5.099 12.558 ( 1.894 -0.432 1.966) 2.764 12.558 ( 1.894 0.432 1.966) 2.764 ======================= Grid point 70 (34/75) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -3.531 0.000 22.514) 22.789 0.875 ( 3.326 0.000 22.088) 22.337 1.601 ( -3.996 0.000 32.026) 32.274 1.702 ( 4.126 0.000 1.122) 4.276 1.783 ( -3.208 0.000 0.625) 3.268 1.836 ( -0.693 0.000 -0.832) 1.083 1.892 ( -3.027 0.000 -2.477) 3.912 2.070 ( 0.009 0.000 -1.254) 1.254 2.091 ( -1.351 0.000 1.613) 2.104 2.215 ( -1.938 0.000 4.273) 4.692 2.248 ( 0.559 0.000 -0.020) 0.559 2.311 ( -0.276 0.000 -1.948) 1.967 2.327 ( -3.984 0.000 -0.693) 4.044 2.555 ( -1.053 0.000 -4.964) 5.074 2.605 ( -0.744 0.000 -2.847) 2.943 2.629 ( -1.365 0.000 -1.095) 1.750 2.769 ( 1.440 0.000 -3.720) 3.989 2.769 ( -0.070 0.000 -2.682) 2.683 2.885 ( -2.167 0.000 1.996) 2.946 2.918 ( 4.257 0.000 3.040) 5.231 3.051 ( 2.539 0.000 -3.439) 4.275 3.130 ( 1.434 0.000 -4.249) 4.484 3.238 ( 3.420 0.000 -4.940) 6.008 3.306 ( 4.255 0.000 -5.272) 6.775 3.365 ( 1.074 0.000 -0.563) 1.212 3.492 ( 0.938 0.000 -0.804) 1.235 3.587 ( -0.037 0.000 -0.567) 0.568 3.654 ( -2.340 0.000 0.852) 2.491 3.662 ( -2.342 0.000 1.908) 3.021 3.687 ( -2.345 0.000 1.622) 2.851 3.822 ( 12.162 0.000 -1.182) 12.220 3.844 ( -1.417 0.000 4.571) 4.786 3.959 ( -1.508 0.000 -3.453) 3.768 3.976 ( -3.241 0.000 -0.649) 3.305 4.207 ( -1.350 0.000 3.176) 3.451 4.385 ( -1.544 0.000 -0.959) 1.818 4.476 ( 3.103 0.000 -1.800) 3.588 4.550 ( -0.409 0.000 -5.081) 5.097 4.646 ( -0.843 0.000 -1.771) 1.962 4.652 ( 0.903 0.000 -3.723) 3.831 4.732 ( -0.269 0.000 -1.388) 1.414 4.732 ( -1.669 0.000 1.282) 2.104 5.036 ( -3.471 0.000 3.317) 4.801 5.149 ( -0.273 0.000 -0.679) 0.731 5.178 ( -0.333 0.000 0.915) 0.974 5.184 ( -2.073 0.000 -1.279) 2.436 5.287 ( -1.672 0.000 0.853) 1.877 5.350 ( 2.456 0.000 -2.283) 3.353 5.552 ( 5.215 0.000 2.741) 5.892 5.586 ( -1.436 0.000 0.956) 1.725 5.672 ( 0.780 0.000 6.139) 6.188 5.722 ( -2.497 0.000 1.311) 2.820 5.819 ( 6.295 0.000 3.212) 7.067 5.913 ( -6.750 0.000 -0.397) 6.762 5.943 ( 0.009 0.000 2.304) 2.304 6.066 ( -0.490 0.000 -3.521) 3.555 6.111 ( 0.431 0.000 1.340) 1.407 6.227 ( -1.711 0.000 -2.279) 2.850 6.303 ( 2.856 0.000 2.182) 3.594 6.387 ( -3.820 0.000 0.417) 3.842 6.428 ( -1.318 0.000 3.066) 3.338 6.514 ( 2.754 0.000 -1.377) 3.079 6.537 ( 5.054 0.000 -3.187) 5.975 6.580 ( 13.035 0.000 -1.173) 13.088 6.647 ( 2.980 0.000 0.011) 2.980 6.691 ( -6.742 0.000 -2.134) 7.072 6.725 ( -4.950 0.000 0.263) 4.956 6.814 ( -0.566 0.000 -0.683) 0.887 6.988 ( 0.206 0.000 1.029) 1.049 7.036 ( 2.766 0.000 2.713) 3.874 7.191 ( -2.145 0.000 2.063) 2.976 7.242 ( 2.524 0.000 -0.131) 2.527 7.296 ( -7.216 0.000 -1.178) 7.312 7.360 ( -0.717 0.000 -2.609) 2.706 7.434 ( -0.286 0.000 -0.845) 0.892 7.511 ( 0.032 0.000 -2.993) 2.993 8.213 ( 0.940 0.000 2.485) 2.657 8.444 ( -1.308 0.000 -4.830) 5.003 8.474 ( -4.705 0.000 1.455) 4.925 8.576 ( 1.197 0.000 -1.572) 1.975 10.231 ( -0.732 0.000 0.374) 0.822 10.247 ( 0.470 0.000 0.033) 0.471 10.271 ( 2.085 0.000 0.863) 2.257 10.345 ( -0.025 0.000 0.778) 0.778 10.387 ( -7.543 0.000 -0.907) 7.597 10.403 ( -0.676 0.000 -0.437) 0.805 10.429 ( -1.064 0.000 0.926) 1.410 10.444 ( -0.943 0.000 -0.997) 1.372 11.466 ( 0.324 0.000 -0.824) 0.885 11.568 ( 0.218 0.000 -3.683) 3.690 11.677 ( 0.847 0.000 3.293) 3.400 11.817 ( 8.098 0.000 -1.420) 8.222 12.180 ( -0.006 0.000 1.314) 1.314 12.309 ( 0.515 0.000 -3.026) 3.070 12.615 ( -0.487 0.000 0.571) 0.751 12.654 ( 0.123 0.000 -0.442) 0.459 ======================= Grid point 71 (35/75) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 11.843 0.000 16.863) 20.606 1.100 ( 10.474 0.000 17.654) 20.528 1.672 ( 2.055 0.000 4.674) 5.106 1.762 ( -0.503 0.000 -0.164) 0.529 1.774 ( 2.333 0.000 -3.671) 4.349 1.864 ( 2.423 0.000 2.189) 3.265 1.884 ( 3.190 0.000 15.634) 15.956 2.087 ( 2.171 0.000 -1.515) 2.647 2.099 ( -0.118 0.000 0.443) 0.459 2.182 ( -1.854 0.000 7.738) 7.957 2.206 ( -3.127 0.000 -1.053) 3.300 2.251 ( -3.218 0.000 2.512) 4.083 2.294 ( -0.701 0.000 0.544) 0.887 2.483 ( -4.870 0.000 -1.017) 4.975 2.540 ( -3.975 0.000 -3.355) 5.202 2.561 ( -4.773 0.000 -2.128) 5.226 2.779 ( 2.350 0.000 -1.424) 2.748 2.791 ( 0.852 0.000 -3.392) 3.498 2.795 ( -6.445 0.000 0.350) 6.455 2.974 ( 0.911 0.000 2.025) 2.221 3.108 ( -2.183 0.000 -5.231) 5.668 3.140 ( 6.477 0.000 -0.704) 6.516 3.230 ( -0.412 0.000 -6.661) 6.673 3.344 ( 1.617 0.000 -5.859) 6.078 3.399 ( 0.498 0.000 2.256) 2.310 3.428 ( -5.804 0.000 -0.826) 5.863 3.570 ( -2.786 0.000 -4.891) 5.629 3.572 ( -4.751 0.000 -2.977) 5.607 3.693 ( 2.015 0.000 0.706) 2.135 3.695 ( 2.818 0.000 2.108) 3.519 3.779 ( -2.959 0.000 0.956) 3.110 3.905 ( -3.560 0.000 1.730) 3.959 3.962 ( 0.560 0.000 0.768) 0.950 3.992 ( 5.784 0.000 -3.736) 6.886 4.227 ( 2.335 0.000 3.842) 4.496 4.329 ( -4.270 0.000 0.138) 4.272 4.526 ( -0.694 0.000 -3.643) 3.709 4.550 ( 4.898 0.000 -1.491) 5.120 4.629 ( 0.247 0.000 -3.022) 3.032 4.674 ( 1.959 0.000 -0.906) 2.158 4.725 ( 1.014 0.000 -0.330) 1.067 4.741 ( 1.428 0.000 0.300) 1.459 5.010 ( -0.609 0.000 3.152) 3.211 5.141 ( -0.466 0.000 -1.244) 1.328 5.162 ( -0.090 0.000 1.172) 1.176 5.170 ( -0.593 0.000 0.185) 0.621 5.266 ( -1.044 0.000 1.086) 1.507 5.398 ( 3.137 0.000 -1.395) 3.433 5.567 ( 0.243 0.000 -0.506) 0.561 5.624 ( 0.239 0.000 2.233) 2.246 5.671 ( -2.865 0.000 2.412) 3.745 5.694 ( -1.332 0.000 2.108) 2.494 5.844 ( 0.648 0.000 -0.039) 0.649 5.922 ( 1.260 0.000 4.512) 4.685 5.947 ( 1.329 0.000 1.707) 2.163 6.033 ( -1.405 0.000 -3.226) 3.519 6.109 ( -1.181 0.000 1.592) 1.982 6.165 ( -3.509 0.000 -0.632) 3.566 6.289 ( -3.471 0.000 1.327) 3.716 6.313 ( -3.377 0.000 -0.752) 3.460 6.357 ( -4.374 0.000 -1.958) 4.793 6.450 ( -9.158 0.000 -1.057) 9.219 6.582 ( -4.009 0.000 1.552) 4.299 6.628 ( 0.274 0.000 -0.221) 0.352 6.661 ( 0.676 0.000 -1.919) 2.035 6.662 ( 0.260 0.000 -1.019) 1.052 6.733 ( 6.579 0.000 2.238) 6.949 6.799 ( -3.076 0.000 2.215) 3.791 7.011 ( 1.252 0.000 2.330) 2.645 7.058 ( -1.117 0.000 -0.101) 1.122 7.173 ( -0.961 0.000 4.295) 4.402 7.271 ( 6.156 0.000 -6.105) 8.670 7.282 ( 0.959 0.000 1.007) 1.390 7.323 ( -1.691 0.000 -2.008) 2.625 7.429 ( 0.263 0.000 -0.925) 0.962 7.565 ( 3.731 0.000 -2.083) 4.273 8.196 ( -3.529 0.000 3.422) 4.916 8.396 ( -1.387 0.000 -4.740) 4.939 8.455 ( 1.703 0.000 0.779) 1.873 8.572 ( -1.065 0.000 -1.065) 1.506 10.220 ( -0.218 0.000 0.282) 0.356 10.261 ( 0.540 0.000 0.279) 0.607 10.307 ( 0.107 0.000 -0.094) 0.142 10.323 ( 1.891 0.000 2.082) 2.813 10.376 ( -1.640 0.000 -0.009) 1.640 10.382 ( 2.245 0.000 0.918) 2.425 10.414 ( -0.627 0.000 0.765) 0.990 10.434 ( -0.440 0.000 -0.354) 0.565 11.471 ( 0.399 0.000 -0.558) 0.686 11.558 ( 0.562 0.000 -3.879) 3.920 11.710 ( 1.250 0.000 2.241) 2.566 11.908 ( 2.877 0.000 -5.614) 6.308 12.184 ( -0.149 0.000 1.221) 1.231 12.305 ( 0.229 0.000 -2.989) 2.997 12.600 ( -1.225 0.000 0.498) 1.323 12.623 ( -3.009 0.000 0.832) 3.121 ======================= Grid point 72 (36/75) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 8.475 0.000 11.281) 14.109 1.363 ( 15.383 0.000 8.581) 17.614 1.698 ( -1.729 0.000 0.955) 1.975 1.791 ( 4.987 0.000 -2.884) 5.761 1.810 ( 3.634 0.000 -3.904) 5.334 1.914 ( -2.665 0.000 8.897) 9.288 1.936 ( 1.806 0.000 0.494) 1.872 2.048 ( -3.046 0.000 2.425) 3.893 2.137 ( 3.623 0.000 -2.699) 4.518 2.168 ( 0.218 0.000 -0.274) 0.350 2.178 ( -3.630 0.000 0.877) 3.734 2.291 ( 4.744 0.000 2.103) 5.189 2.389 ( -4.081 0.000 2.285) 4.677 2.428 ( 8.008 0.000 6.427) 10.268 2.467 ( -3.542 0.000 -0.196) 3.547 2.468 ( 2.894 0.000 5.270) 6.012 2.644 ( -8.771 0.000 -1.052) 8.834 2.767 ( -2.108 0.000 -3.242) 3.867 2.841 ( 3.411 0.000 -0.392) 3.434 2.986 ( -0.068 0.000 -1.342) 1.343 3.002 ( -6.507 0.000 -4.300) 7.800 3.160 ( -2.131 0.000 -5.427) 5.830 3.251 ( -0.300 0.000 -1.074) 1.115 3.315 ( -2.947 0.000 -2.006) 3.564 3.337 ( -1.131 0.000 1.687) 2.031 3.386 ( -2.466 0.000 -0.204) 2.474 3.471 ( -4.669 0.000 -5.405) 7.142 3.496 ( -1.509 0.000 -2.422) 2.854 3.685 ( -1.333 0.000 1.385) 1.922 3.704 ( -0.889 0.000 -2.507) 2.660 3.808 ( 2.463 0.000 0.106) 2.466 3.863 ( -1.615 0.000 1.603) 2.275 3.949 ( -2.310 0.000 0.172) 2.316 4.065 ( 4.360 0.000 -3.896) 5.847 4.221 ( -6.596 0.000 1.024) 6.675 4.287 ( 1.719 0.000 1.555) 2.318 4.502 ( -0.342 0.000 -2.451) 2.475 4.617 ( 1.707 0.000 0.119) 1.711 4.633 ( 1.187 0.000 -2.954) 3.184 4.711 ( 2.405 0.000 -0.984) 2.599 4.771 ( 3.642 0.000 -1.179) 3.828 4.785 ( 2.443 0.000 2.165) 3.264 5.027 ( 0.894 0.000 2.534) 2.687 5.139 ( 0.911 0.000 -1.073) 1.407 5.157 ( -0.763 0.000 0.265) 0.808 5.171 ( 0.202 0.000 2.382) 2.391 5.262 ( 0.322 0.000 0.537) 0.626 5.423 ( -1.702 0.000 -2.681) 3.176 5.557 ( -1.304 0.000 -0.452) 1.380 5.601 ( 3.433 0.000 -2.516) 4.256 5.659 ( -3.761 0.000 3.023) 4.826 5.692 ( 1.181 0.000 0.825) 1.441 5.863 ( -0.084 0.000 0.645) 0.651 5.915 ( -1.560 0.000 3.060) 3.435 5.999 ( 1.811 0.000 2.645) 3.206 6.001 ( -0.782 0.000 -0.968) 1.244 6.077 ( -3.255 0.000 2.233) 3.947 6.114 ( -1.141 0.000 -0.545) 1.264 6.198 ( -5.168 0.000 1.889) 5.502 6.256 ( -1.548 0.000 -1.752) 2.338 6.306 ( -0.207 0.000 -2.102) 2.112 6.328 ( -3.571 0.000 1.078) 3.730 6.489 ( -5.284 0.000 2.698) 5.933 6.572 ( -4.001 0.000 1.250) 4.192 6.666 ( -0.250 0.000 -2.383) 2.396 6.697 ( 2.395 0.000 -2.673) 3.589 6.793 ( 1.568 0.000 3.630) 3.955 6.875 ( 6.257 0.000 3.199) 7.028 7.016 ( -2.484 0.000 -1.913) 3.135 7.044 ( 1.147 0.000 3.320) 3.513 7.163 ( -2.122 0.000 4.713) 5.169 7.267 ( -2.409 0.000 -3.667) 4.387 7.280 ( -1.231 0.000 0.553) 1.350 7.341 ( 1.945 0.000 -4.973) 5.340 7.434 ( 0.226 0.000 0.361) 0.426 7.602 ( 0.908 0.000 -2.032) 2.226 8.169 ( 0.250 0.000 2.235) 2.249 8.372 ( 0.634 0.000 -3.312) 3.373 8.493 ( 1.815 0.000 -0.610) 1.915 8.536 ( -2.148 0.000 -0.980) 2.361 10.222 ( 0.120 0.000 0.522) 0.536 10.258 ( -1.032 0.000 0.959) 1.409 10.326 ( 1.449 0.000 -1.461) 2.057 10.332 ( -0.939 0.000 0.326) 0.994 10.349 ( -1.508 0.000 1.450) 2.092 10.425 ( -0.149 0.000 -0.234) 0.277 10.428 ( 1.222 0.000 2.649) 2.917 10.451 ( 4.294 0.000 0.238) 4.300 11.475 ( 0.246 0.000 -0.544) 0.598 11.561 ( 1.223 0.000 -4.411) 4.578 11.733 ( 0.487 0.000 0.935) 1.055 11.905 ( -0.587 0.000 -5.179) 5.212 12.183 ( -0.380 0.000 1.127) 1.189 12.297 ( 0.121 0.000 -2.795) 2.798 12.569 ( -2.803 0.000 2.007) 3.447 12.579 ( -1.047 0.000 0.410) 1.124 ======================= Grid point 73 (37/75) ======================= q-point: ( 0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 2.171 0.000 6.732) 7.074 1.579 ( -7.267 0.000 9.483) 11.947 1.651 ( 7.758 0.000 -1.447) 7.891 1.828 ( -1.418 0.000 1.417) 2.005 1.886 ( -5.759 0.000 -1.361) 5.918 1.912 ( 7.537 0.000 3.308) 8.231 1.967 ( 4.975 0.000 4.352) 6.610 2.094 ( 7.163 0.000 -0.109) 7.164 2.104 ( -2.647 0.000 -2.089) 3.372 2.194 ( 3.104 0.000 -1.583) 3.484 2.212 ( 3.125 0.000 -1.522) 3.476 2.325 ( -0.786 0.000 1.048) 1.309 2.389 ( -1.153 0.000 -5.870) 5.982 2.433 ( 2.433 0.000 3.931) 4.623 2.459 ( 1.553 0.000 4.400) 4.666 2.480 ( -2.621 0.000 -4.792) 5.462 2.676 ( -4.057 0.000 -3.684) 5.480 2.777 ( 10.112 0.000 8.222) 13.033 2.858 ( -2.628 0.000 2.672) 3.748 2.920 ( 1.437 0.000 -2.649) 3.013 2.961 ( -0.552 0.000 -3.744) 3.784 3.061 ( -12.403 0.000 -1.539) 12.498 3.148 ( -1.706 0.000 -0.743) 1.861 3.232 ( -4.993 0.000 -0.208) 4.997 3.308 ( -4.926 0.000 -1.123) 5.052 3.341 ( -2.940 0.000 -1.715) 3.404 3.436 ( 4.342 0.000 -1.923) 4.749 3.489 ( 0.883 0.000 -1.884) 2.081 3.677 ( -0.326 0.000 -2.098) 2.123 3.693 ( 1.633 0.000 -0.997) 1.914 3.840 ( -1.247 0.000 0.085) 1.250 3.848 ( 1.080 0.000 3.744) 3.896 3.881 ( -3.355 0.000 -0.116) 3.357 4.125 ( 3.202 0.000 -4.277) 5.343 4.141 ( -1.741 0.000 1.544) 2.327 4.286 ( -1.837 0.000 -0.729) 1.977 4.501 ( 1.119 0.000 -1.030) 1.521 4.615 ( -1.702 0.000 0.065) 1.704 4.646 ( 1.201 0.000 -2.431) 2.712 4.737 ( 0.847 0.000 -3.482) 3.584 4.827 ( 1.876 0.000 0.152) 1.883 4.832 ( 1.193 0.000 2.768) 3.014 5.053 ( 0.775 0.000 2.075) 2.215 5.149 ( -0.180 0.000 0.851) 0.870 5.164 ( 1.866 0.000 -0.657) 1.978 5.194 ( 1.306 0.000 2.990) 3.263 5.273 ( 0.354 0.000 -0.049) 0.358 5.341 ( -2.910 0.000 -5.816) 6.503 5.573 ( -5.287 0.000 2.045) 5.669 5.586 ( 1.335 0.000 0.912) 1.616 5.663 ( 3.100 0.000 -1.953) 3.663 5.678 ( -2.495 0.000 -0.460) 2.537 5.853 ( -0.047 0.000 -0.156) 0.163 5.902 ( -0.776 0.000 2.472) 2.591 6.006 ( -4.912 0.000 4.456) 6.632 6.013 ( 1.934 0.000 1.806) 2.646 6.034 ( 1.094 0.000 1.159) 1.593 6.119 ( 1.696 0.000 -1.561) 2.305 6.154 ( -0.247 0.000 0.377) 0.451 6.251 ( 1.357 0.000 -1.032) 1.705 6.269 ( -4.036 0.000 1.217) 4.215 6.321 ( 2.386 0.000 -1.296) 2.715 6.446 ( 0.619 0.000 2.385) 2.464 6.507 ( -2.860 0.000 0.394) 2.887 6.640 ( -1.834 0.000 -0.771) 1.990 6.720 ( 0.684 0.000 -2.426) 2.521 6.849 ( 2.312 0.000 3.553) 4.239 6.960 ( -2.499 0.000 -1.382) 2.856 6.970 ( 2.105 0.000 2.987) 3.654 7.067 ( -0.850 0.000 3.319) 3.427 7.137 ( -1.666 0.000 3.153) 3.567 7.207 ( -1.598 0.000 -3.430) 3.784 7.259 ( -0.638 0.000 0.661) 0.918 7.353 ( 2.035 0.000 -3.352) 3.921 7.435 ( -0.317 0.000 0.855) 0.912 7.589 ( -1.212 0.000 -2.401) 2.690 8.211 ( 2.753 0.000 1.573) 3.171 8.392 ( 2.292 0.000 -1.822) 2.928 8.490 ( -1.934 0.000 -1.430) 2.405 8.521 ( 1.798 0.000 -1.510) 2.348 10.224 ( -0.357 0.000 0.847) 0.919 10.242 ( -0.769 0.000 1.177) 1.406 10.315 ( -0.687 0.000 -0.128) 0.699 10.334 ( -0.479 0.000 1.407) 1.486 10.336 ( 0.132 0.000 -1.323) 1.330 10.424 ( 0.272 0.000 -1.113) 1.146 10.457 ( 0.335 0.000 3.595) 3.611 10.537 ( 4.460 0.000 0.533) 4.492 11.475 ( -0.079 0.000 -0.639) 0.643 11.566 ( 1.032 0.000 -5.123) 5.226 11.734 ( -0.660 0.000 0.270) 0.713 11.860 ( -2.208 0.000 -3.709) 4.317 12.179 ( -0.513 0.000 1.107) 1.220 12.292 ( 0.545 0.000 -2.708) 2.762 12.539 ( -1.209 0.000 2.196) 2.507 12.568 ( -0.159 0.000 0.368) 0.401 ======================= Grid point 74 (38/75) ======================= q-point: (-0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -14.037 0.000 12.453) 18.765 1.402 ( -13.215 0.000 5.734) 14.405 1.764 ( -6.252 0.000 0.516) 6.273 1.774 ( 4.098 0.000 0.278) 4.108 1.862 ( 4.431 0.000 3.274) 5.510 2.011 ( 1.477 0.000 -3.910) 4.180 2.096 ( 2.322 0.000 1.596) 2.818 2.122 ( 6.667 0.000 8.714) 10.972 2.167 ( -5.112 0.000 1.965) 5.477 2.228 ( 1.328 0.000 -4.521) 4.712 2.266 ( 5.827 0.000 -3.530) 6.813 2.287 ( -0.734 0.000 -2.768) 2.864 2.371 ( 1.353 0.000 -5.585) 5.747 2.438 ( 6.184 0.000 -6.522) 8.987 2.504 ( 2.750 0.000 1.177) 2.991 2.570 ( -4.199 0.000 -2.894) 5.099 2.628 ( 7.617 0.000 7.478) 10.674 2.680 ( -23.557 0.000 10.377) 25.741 2.875 ( 0.119 0.000 -3.547) 3.549 2.906 ( 6.092 0.000 1.304) 6.230 2.935 ( 0.727 0.000 2.839) 2.930 2.975 ( 1.835 0.000 -6.449) 6.705 3.138 ( -4.334 0.000 -0.108) 4.335 3.186 ( 1.128 0.000 -4.995) 5.121 3.223 ( -2.504 0.000 -2.598) 3.609 3.307 ( 3.160 0.000 2.607) 4.097 3.493 ( 0.068 0.000 -2.329) 2.330 3.532 ( 5.129 0.000 -3.143) 6.015 3.683 ( 1.075 0.000 0.216) 1.097 3.701 ( -0.301 0.000 -2.561) 2.579 3.820 ( -0.940 0.000 0.207) 0.962 3.859 ( 1.946 0.000 2.565) 3.220 3.904 ( 1.652 0.000 4.191) 4.505 4.136 ( -0.786 0.000 -4.872) 4.935 4.158 ( 2.764 0.000 2.005) 3.414 4.243 ( -1.037 0.000 -1.609) 1.914 4.538 ( 2.804 0.000 0.411) 2.834 4.560 ( -3.457 0.000 -1.999) 3.993 4.654 ( 0.306 0.000 -2.180) 2.201 4.724 ( -0.320 0.000 -4.320) 4.331 4.835 ( -1.103 0.000 1.303) 1.707 4.846 ( -0.683 0.000 1.751) 1.879 5.077 ( 1.400 0.000 2.256) 2.655 5.160 ( 1.020 0.000 1.900) 2.157 5.203 ( 2.288 0.000 0.550) 2.353 5.232 ( 1.321 0.000 1.382) 1.912 5.263 ( -1.684 0.000 0.175) 1.693 5.294 ( 0.008 0.000 -5.611) 5.611 5.491 ( -3.850 0.000 2.217) 4.443 5.526 ( -6.646 0.000 0.101) 6.647 5.657 ( -0.654 0.000 2.018) 2.121 5.691 ( 0.373 0.000 -1.691) 1.732 5.889 ( 4.383 0.000 -1.625) 4.675 5.902 ( -0.343 0.000 1.842) 1.874 5.937 ( -3.796 0.000 3.463) 5.138 6.050 ( -0.066 0.000 1.981) 1.982 6.066 ( 2.296 0.000 1.952) 3.013 6.153 ( 1.932 0.000 -0.884) 2.124 6.170 ( 0.593 0.000 -0.832) 1.021 6.196 ( -1.990 0.000 0.380) 2.026 6.287 ( 2.529 0.000 -0.790) 2.650 6.383 ( 4.320 0.000 -0.367) 4.335 6.474 ( -0.478 0.000 -0.932) 1.047 6.529 ( 6.225 0.000 2.466) 6.696 6.593 ( -2.495 0.000 0.315) 2.515 6.690 ( -3.178 0.000 -1.861) 3.683 6.899 ( 1.761 0.000 2.750) 3.265 6.920 ( -1.497 0.000 0.167) 1.506 6.976 ( -1.805 0.000 2.467) 3.057 7.018 ( -4.737 0.000 2.295) 5.264 7.133 ( 0.133 0.000 1.296) 1.303 7.211 ( 2.507 0.000 -2.337) 3.427 7.269 ( 0.910 0.000 1.105) 1.432 7.399 ( 3.471 0.000 -2.886) 4.514 7.433 ( -0.133 0.000 0.965) 0.974 7.550 ( -1.345 0.000 -2.347) 2.705 8.262 ( 1.430 0.000 1.923) 2.396 8.427 ( 1.585 0.000 -2.852) 3.263 8.468 ( 0.813 0.000 -0.897) 1.210 8.553 ( 2.436 0.000 -3.050) 3.903 10.216 ( -0.732 0.000 1.076) 1.301 10.242 ( 0.348 0.000 0.791) 0.865 10.307 ( -0.171 0.000 -0.308) 0.352 10.327 ( -0.564 0.000 -0.475) 0.738 10.342 ( 0.684 0.000 1.464) 1.616 10.424 ( 0.246 0.000 -1.575) 1.594 10.466 ( -0.602 0.000 2.898) 2.960 10.624 ( 4.630 0.000 0.427) 4.650 11.469 ( -0.236 0.000 -0.627) 0.670 11.554 ( -0.308 0.000 -5.420) 5.429 11.713 ( -1.627 0.000 0.474) 1.695 11.798 ( -3.009 0.000 -2.345) 3.815 12.174 ( -0.423 0.000 1.182) 1.256 12.297 ( 0.964 0.000 -2.781) 2.943 12.540 ( 0.500 0.000 2.032) 2.093 12.576 ( 0.725 0.000 0.357) 0.809 ======================= Grid point 75 (39/75) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -17.951 0.000 10.076) 20.586 1.170 ( -14.752 0.000 16.267) 21.960 1.672 ( -3.521 0.000 1.500) 3.827 1.821 ( 1.063 0.000 0.256) 1.093 1.949 ( 2.040 0.000 2.526) 3.247 1.982 ( -3.186 0.000 -3.456) 4.700 2.078 ( -20.025 0.000 20.119) 28.386 2.115 ( 1.053 0.000 -3.496) 3.651 2.150 ( -3.214 0.000 2.375) 3.997 2.187 ( -3.129 0.000 -2.432) 3.963 2.190 ( -1.621 0.000 -4.889) 5.151 2.313 ( -0.169 0.000 1.715) 1.723 2.400 ( 2.483 0.000 4.456) 5.101 2.490 ( 3.608 0.000 0.198) 3.613 2.538 ( 4.730 0.000 -3.961) 6.169 2.570 ( 5.321 0.000 -7.090) 8.865 2.574 ( 5.297 0.000 -2.635) 5.916 2.756 ( 2.985 0.000 9.104) 9.581 2.842 ( -0.678 0.000 -5.744) 5.784 2.882 ( -2.557 0.000 -2.230) 3.393 3.022 ( 4.825 0.000 -2.460) 5.416 3.071 ( 0.779 0.000 -0.222) 0.810 3.131 ( -2.693 0.000 -5.671) 6.277 3.169 ( 11.309 0.000 0.976) 11.351 3.216 ( 4.708 0.000 -0.758) 4.769 3.432 ( 5.905 0.000 2.385) 6.369 3.467 ( -1.863 0.000 -3.339) 3.824 3.565 ( 0.592 0.000 -5.519) 5.551 3.702 ( 0.293 0.000 2.847) 2.862 3.702 ( 0.328 0.000 2.868) 2.887 3.801 ( -1.680 0.000 0.827) 1.873 3.874 ( -1.923 0.000 1.026) 2.180 3.965 ( 3.499 0.000 -0.260) 3.509 4.079 ( -2.077 0.000 -5.131) 5.535 4.237 ( 0.149 0.000 -0.718) 0.734 4.259 ( 6.412 0.000 2.156) 6.765 4.487 ( -2.826 0.000 -2.439) 3.733 4.603 ( 3.297 0.000 1.422) 3.590 4.635 ( -1.106 0.000 -3.860) 4.015 4.699 ( -0.523 0.000 -5.057) 5.084 4.808 ( -2.277 0.000 2.248) 3.200 4.819 ( -2.462 0.000 -0.062) 2.463 5.125 ( 2.006 0.000 2.111) 2.912 5.204 ( -3.743 0.000 2.095) 4.289 5.219 ( -1.690 0.000 -1.370) 2.176 5.232 ( 5.190 0.000 4.167) 6.656 5.264 ( 3.122 0.000 -2.581) 4.051 5.293 ( 0.409 0.000 -0.464) 0.619 5.409 ( -4.141 0.000 0.074) 4.142 5.451 ( -0.741 0.000 1.815) 1.960 5.647 ( -1.361 0.000 4.596) 4.793 5.669 ( -1.917 0.000 -0.558) 1.996 5.872 ( -3.039 0.000 2.052) 3.667 5.906 ( -1.125 0.000 1.339) 1.749 5.984 ( 5.554 0.000 -2.441) 6.067 6.048 ( -0.428 0.000 2.785) 2.818 6.101 ( 0.248 0.000 1.247) 1.272 6.137 ( -1.499 0.000 1.964) 2.471 6.173 ( 0.843 0.000 -0.378) 0.924 6.254 ( 5.675 0.000 -2.303) 6.124 6.334 ( 2.341 0.000 0.105) 2.343 6.464 ( 3.621 0.000 -3.035) 4.725 6.489 ( 2.952 0.000 0.822) 3.064 6.537 ( -2.784 0.000 2.491) 3.735 6.599 ( -5.277 0.000 -0.737) 5.328 6.689 ( 8.118 0.000 -0.281) 8.123 6.893 ( -2.064 0.000 0.827) 2.223 6.926 ( -4.083 0.000 1.852) 4.484 6.941 ( 0.259 0.000 1.716) 1.735 6.953 ( -0.974 0.000 2.286) 2.485 7.146 ( 0.831 0.000 0.859) 1.195 7.258 ( 3.037 0.000 -1.700) 3.480 7.278 ( -0.596 0.000 0.259) 0.650 7.420 ( -0.495 0.000 -3.452) 3.487 7.438 ( 0.101 0.000 0.964) 0.969 7.559 ( 3.269 0.000 -1.971) 3.818 8.267 ( -1.666 0.000 1.370) 2.156 8.442 ( 2.146 0.000 -4.363) 4.862 8.503 ( 2.319 0.000 -0.699) 2.423 8.581 ( 1.587 0.000 -4.585) 4.852 10.209 ( -0.241 0.000 0.947) 0.978 10.253 ( 0.307 0.000 -0.008) 0.307 10.298 ( -0.923 0.000 0.035) 0.924 10.317 ( -0.163 0.000 0.241) 0.291 10.368 ( 1.457 0.000 1.025) 1.782 10.425 ( 0.476 0.000 -1.115) 1.213 10.460 ( -0.886 0.000 1.608) 1.836 10.701 ( 2.938 0.000 -3.297) 4.416 11.464 ( 0.004 0.000 -0.638) 0.638 11.519 ( -0.958 0.000 -3.032) 3.180 11.681 ( -1.852 0.000 1.506) 2.387 11.732 ( -3.114 0.000 -0.899) 3.241 12.173 ( -0.203 0.000 1.285) 1.301 12.305 ( 0.947 0.000 -2.884) 3.036 12.571 ( 2.011 0.000 1.635) 2.592 12.595 ( 1.035 0.000 0.414) 1.115 ======================= Grid point 76 (40/75) ======================= q-point: (-0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -11.404 0.000 18.188) 21.468 0.973 ( -12.864 0.000 19.050) 22.987 1.649 ( 0.598 0.000 1.580) 1.689 1.700 ( -20.363 0.000 33.298) 39.031 1.845 ( 0.213 0.000 -2.551) 2.559 1.885 ( -6.211 0.000 -1.067) 6.302 1.946 ( -1.803 0.000 -1.251) 2.195 2.098 ( -2.599 0.000 -0.278) 2.614 2.125 ( -0.739 0.000 -1.695) 1.849 2.193 ( 3.858 0.000 -0.390) 3.878 2.206 ( 1.365 0.000 1.487) 2.018 2.319 ( -0.052 0.000 -0.662) 0.664 2.393 ( -3.285 0.000 2.562) 4.166 2.575 ( 4.396 0.000 -2.364) 4.991 2.578 ( 0.563 0.000 -6.704) 6.727 2.617 ( 2.598 0.000 -0.907) 2.752 2.698 ( 7.059 0.000 -4.263) 8.246 2.827 ( -2.388 0.000 -3.275) 4.053 2.841 ( 2.451 0.000 -1.684) 2.973 2.850 ( 3.353 0.000 5.655) 6.574 3.060 ( -1.414 0.000 -3.986) 4.229 3.096 ( 2.739 0.000 -2.350) 3.609 3.135 ( 6.489 0.000 -0.261) 6.494 3.244 ( 3.898 0.000 -4.500) 5.953 3.401 ( -3.104 0.000 -3.668) 4.805 3.485 ( 0.130 0.000 -2.364) 2.368 3.500 ( 15.922 0.000 2.948) 16.192 3.577 ( 2.202 0.000 -1.941) 2.936 3.710 ( -2.547 0.000 6.223) 6.724 3.710 ( -0.384 0.000 2.928) 2.953 3.752 ( -3.864 0.000 1.942) 4.325 3.835 ( -1.076 0.000 0.946) 1.433 3.998 ( 0.258 0.000 -2.966) 2.977 4.030 ( -1.472 0.000 -4.733) 4.956 4.228 ( -1.326 0.000 1.597) 2.075 4.370 ( 3.878 0.000 -0.436) 3.903 4.452 ( 0.116 0.000 -1.860) 1.864 4.589 ( -1.437 0.000 -5.746) 5.923 4.653 ( 1.097 0.000 0.004) 1.097 4.668 ( -0.559 0.000 -5.020) 5.051 4.764 ( -2.406 0.000 -1.732) 2.964 4.768 ( -2.592 0.000 2.003) 3.276 5.110 ( -4.868 0.000 1.632) 5.134 5.168 ( 0.615 0.000 2.582) 2.655 5.172 ( -1.849 0.000 -1.592) 2.440 5.242 ( -3.125 0.000 -2.232) 3.840 5.317 ( -0.843 0.000 2.031) 2.199 5.318 ( 2.158 0.000 -2.388) 3.219 5.432 ( 5.064 0.000 2.566) 5.677 5.560 ( 9.072 0.000 3.418) 9.695 5.643 ( 1.652 0.000 1.731) 2.392 5.647 ( -0.611 0.000 5.976) 6.007 5.813 ( -4.192 0.000 1.527) 4.461 5.912 ( 1.690 0.000 2.347) 2.892 6.027 ( -2.846 0.000 -0.680) 2.926 6.077 ( -0.520 0.000 -1.545) 1.630 6.077 ( 2.370 0.000 2.289) 3.295 6.157 ( 4.255 0.000 3.886) 5.763 6.216 ( 3.376 0.000 -1.167) 3.572 6.369 ( 7.182 0.000 -1.030) 7.256 6.371 ( 1.633 0.000 1.614) 2.296 6.479 ( -2.404 0.000 -2.344) 3.358 6.504 ( -1.231 0.000 1.714) 2.110 6.511 ( -0.711 0.000 -0.569) 0.911 6.578 ( 4.259 0.000 0.446) 4.282 6.787 ( 0.265 0.000 -0.637) 0.690 6.829 ( -5.219 0.000 0.968) 5.308 6.838 ( -3.223 0.000 -0.247) 3.232 6.971 ( 2.167 0.000 2.061) 2.990 6.971 ( 1.373 0.000 0.688) 1.536 7.177 ( 2.020 0.000 1.486) 2.507 7.249 ( -2.122 0.000 -0.644) 2.217 7.316 ( 3.610 0.000 -1.022) 3.752 7.383 ( -1.718 0.000 -2.422) 2.969 7.440 ( -0.170 0.000 0.212) 0.272 7.592 ( -0.640 0.000 -5.243) 5.282 8.218 ( -2.909 0.000 0.970) 3.066 8.465 ( 1.234 0.000 -4.514) 4.680 8.544 ( 2.496 0.000 -1.557) 2.942 8.561 ( -2.517 0.000 -3.465) 4.283 10.219 ( 0.965 0.000 0.753) 1.224 10.249 ( -0.432 0.000 -0.242) 0.495 10.273 ( -1.554 0.000 0.109) 1.558 10.328 ( 0.922 0.000 0.392) 1.001 10.397 ( 1.075 0.000 0.409) 1.150 10.432 ( 0.382 0.000 -0.202) 0.432 10.446 ( -1.021 0.000 0.777) 1.283 10.631 ( -9.049 0.000 -9.104) 12.836 11.464 ( 0.273 0.000 -0.859) 0.901 11.542 ( 3.812 0.000 -0.588) 3.857 11.663 ( -0.755 0.000 2.917) 3.013 11.699 ( 0.938 0.000 2.235) 2.424 12.175 ( -0.029 0.000 1.340) 1.341 12.309 ( 0.679 0.000 -2.965) 3.041 12.613 ( 0.534 0.000 0.526) 0.749 12.622 ( 2.616 0.000 0.648) 2.695 ======================= Grid point 77 (41/75) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -6.920 11.911 16.841) 21.757 1.094 ( 1.556 14.382 19.057) 23.925 1.566 ( -1.003 -11.104 6.792) 13.055 1.657 ( -2.561 -11.171 6.825) 13.339 1.743 ( -0.398 9.552 18.413) 20.747 1.867 ( -1.945 2.945 -1.429) 3.807 1.901 ( -0.360 3.531 1.784) 3.973 2.010 ( 1.532 -1.253 -4.466) 4.885 2.123 ( 0.448 -0.341 -3.941) 3.981 2.226 ( -2.934 1.456 4.294) 5.401 2.232 ( -1.602 -3.415 -4.197) 5.643 2.351 ( -3.183 5.384 2.757) 6.835 2.428 ( -0.174 5.114 0.966) 5.207 2.488 ( -1.223 -3.687 -4.835) 6.202 2.616 ( 0.544 -3.410 3.227) 4.726 2.641 ( -0.512 0.740 -4.218) 4.313 2.711 ( -2.821 -1.465 -3.569) 4.779 2.803 ( 2.783 -2.988 -3.008) 5.072 2.845 ( 0.229 1.499 2.514) 2.936 2.942 ( 1.602 0.138 -0.146) 1.614 3.065 ( 4.226 1.807 -2.342) 5.158 3.136 ( -1.702 -1.189 -1.473) 2.546 3.170 ( 2.051 -3.741 -4.319) 6.071 3.219 ( 4.190 -7.995 0.470) 9.039 3.339 ( 3.820 2.147 -1.770) 4.726 3.464 ( -0.137 -3.351 1.053) 3.515 3.541 ( 0.993 -3.838 1.031) 4.097 3.588 ( -1.749 -1.148 1.410) 2.523 3.643 ( -2.584 -1.477 -0.976) 3.133 3.695 ( 7.146 -7.187 0.247) 10.138 3.808 ( -0.829 1.141 -2.095) 2.525 3.874 ( -0.727 1.544 0.204) 1.719 3.923 ( -3.373 2.417 -2.050) 4.629 4.043 ( -2.020 1.547 -1.017) 2.740 4.272 ( 1.289 4.801 2.043) 5.375 4.378 ( 0.978 -0.865 -0.268) 1.332 4.498 ( 1.570 1.919 -2.689) 3.658 4.556 ( -0.299 0.245 -5.128) 5.143 4.628 ( -1.334 -0.967 -1.605) 2.301 4.643 ( 0.579 -1.161 -4.549) 4.731 4.726 ( 0.525 0.144 -0.335) 0.639 4.744 ( -0.554 0.568 0.959) 1.245 5.069 ( -3.044 3.077 3.417) 5.515 5.161 ( -0.673 0.291 -0.327) 0.803 5.178 ( -0.531 -0.078 0.336) 0.633 5.179 ( -2.768 0.026 0.522) 2.817 5.304 ( -0.375 1.564 -0.012) 1.609 5.350 ( 2.210 -0.093 -2.131) 3.071 5.559 ( 3.880 0.765 2.408) 4.630 5.589 ( -0.732 0.186 1.350) 1.547 5.662 ( 0.698 -0.621 5.829) 5.903 5.715 ( 1.125 -1.400 2.599) 3.159 5.817 ( 3.524 0.418 3.175) 4.761 5.885 ( -3.000 -1.990 0.589) 3.648 5.969 ( -2.373 2.053 1.210) 3.363 6.051 ( -0.862 -1.352 -1.870) 2.464 6.133 ( -0.052 1.418 1.560) 2.109 6.216 ( -1.391 -1.663 1.013) 2.393 6.286 ( 1.668 -0.630 0.493) 1.850 6.350 ( -2.166 -4.854 2.404) 5.834 6.427 ( -1.087 2.628 0.982) 3.009 6.499 ( 6.226 -1.419 -0.346) 6.395 6.547 ( 5.754 1.149 -0.618) 5.900 6.555 ( -1.241 -0.053 0.028) 1.242 6.644 ( -0.373 -3.293 0.213) 3.321 6.657 ( -3.295 -3.096 1.090) 4.650 6.685 ( -4.424 -0.209 -1.758) 4.765 6.754 ( -1.287 -3.505 -1.306) 3.955 7.000 ( 0.516 1.490 1.643) 2.277 7.049 ( 2.183 -0.035 2.872) 3.608 7.113 ( -3.353 -0.398 1.331) 3.630 7.187 ( 0.001 -3.487 -1.175) 3.680 7.407 ( -0.571 3.935 -1.365) 4.204 7.447 ( 1.631 3.534 0.216) 3.898 7.457 ( 0.363 5.302 -3.413) 6.316 7.602 ( 1.770 3.313 -6.494) 7.502 8.164 ( -0.489 -3.058 2.075) 3.727 8.257 ( -1.159 -8.571 0.448) 8.660 8.667 ( -1.890 8.265 -4.778) 9.732 8.693 ( 0.086 8.051 -6.961) 10.643 10.239 ( 0.719 0.388 0.265) 0.859 10.245 ( 1.663 0.149 0.189) 1.680 10.292 ( -0.572 1.757 0.204) 1.859 10.350 ( 0.498 0.358 0.414) 0.740 10.370 ( -6.324 -1.361 -0.530) 6.491 10.391 ( -2.329 -1.195 -0.647) 2.697 10.431 ( -0.282 0.416 0.830) 0.970 10.447 ( 0.039 0.040 -0.088) 0.104 11.483 ( 0.153 1.511 -1.344) 2.028 11.553 ( 0.172 -1.355 -3.284) 3.557 11.673 ( 1.293 -0.236 3.260) 3.515 11.744 ( 5.561 -4.727 2.156) 7.610 12.263 ( 0.441 5.611 -2.195) 6.041 12.330 ( 0.497 1.637 -3.101) 3.541 12.600 ( -0.461 -1.185 0.498) 1.365 12.630 ( -0.077 -2.113 -0.154) 2.120 ======================= Grid point 78 (42/75) ======================= q-point: ( 0.14 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 7.402 4.295 16.719) 18.782 1.245 ( 6.908 8.281 14.426) 18.012 1.568 ( 0.487 -11.672 5.068) 12.734 1.698 ( 1.870 -9.446 9.428) 13.476 1.813 ( 3.538 5.315 -2.469) 6.846 1.858 ( 1.117 4.783 -0.660) 4.956 1.945 ( 1.072 4.774 7.599) 9.038 2.051 ( 3.853 -3.153 -1.098) 5.098 2.094 ( -2.776 -1.119 -3.263) 4.428 2.169 ( -1.911 -1.584 -0.535) 2.539 2.210 ( -0.651 2.742 3.488) 4.484 2.272 ( -3.671 4.007 0.483) 5.456 2.434 ( -0.907 6.570 2.520) 7.095 2.450 ( -0.243 -1.302 -1.602) 2.079 2.548 ( -5.646 -0.211 -1.144) 5.765 2.597 ( -4.206 3.046 -0.370) 5.206 2.692 ( 1.518 -5.541 -2.111) 6.121 2.814 ( -3.381 4.167 1.782) 5.655 2.831 ( 0.127 -0.828 -2.096) 2.257 2.954 ( 0.509 -2.437 1.876) 3.117 3.076 ( -2.337 -3.510 -2.766) 5.043 3.143 ( -2.329 -6.121 -2.968) 7.190 3.184 ( 6.780 2.732 -2.173) 7.626 3.292 ( 2.027 -3.842 -2.667) 5.097 3.379 ( 0.118 0.718 -0.899) 1.157 3.454 ( -1.640 -0.299 -0.841) 1.867 3.524 ( -1.874 -1.828 1.971) 3.276 3.561 ( -3.067 -1.574 -0.988) 3.587 3.605 ( 1.177 -1.518 -2.691) 3.306 3.731 ( -4.121 0.771 -0.421) 4.213 3.812 ( 4.296 -8.990 0.217) 9.966 3.847 ( -2.126 -5.147 -2.256) 6.008 3.909 ( 0.593 6.922 1.086) 7.032 4.030 ( 0.524 1.588 -1.193) 2.054 4.299 ( 1.130 4.643 0.606) 4.817 4.365 ( -1.759 1.937 -1.145) 2.856 4.516 ( 0.127 0.166 -2.062) 2.073 4.551 ( 1.170 -0.930 -2.401) 2.829 4.618 ( 2.166 0.433 -2.705) 3.492 4.663 ( 2.686 -1.549 -2.222) 3.814 4.743 ( 0.712 1.203 -0.252) 1.420 4.750 ( 1.465 0.865 0.432) 1.755 5.042 ( -1.088 2.752 2.920) 4.157 5.140 ( -1.499 -0.891 1.003) 2.011 5.155 ( -0.077 -0.047 0.549) 0.556 5.167 ( -0.445 -0.125 0.185) 0.497 5.294 ( -0.719 2.596 0.077) 2.694 5.389 ( 2.245 -0.996 -1.270) 2.765 5.578 ( 0.287 0.785 0.025) 0.836 5.611 ( -1.554 -1.300 1.981) 2.833 5.665 ( 0.183 0.348 2.013) 2.051 5.705 ( -2.006 0.485 2.205) 3.020 5.855 ( 1.362 1.029 1.158) 2.063 5.920 ( 2.152 -0.523 4.461) 4.980 5.950 ( -0.227 0.581 1.195) 1.348 6.018 ( -1.604 -1.250 -2.195) 2.992 6.117 ( -2.171 0.261 1.782) 2.821 6.158 ( -4.031 -0.991 1.151) 4.308 6.251 ( -3.446 -1.587 0.832) 3.884 6.302 ( -4.606 -4.244 0.688) 6.301 6.390 ( -4.213 3.110 -1.950) 5.588 6.451 ( -4.198 0.785 0.124) 4.272 6.512 ( -4.914 -3.691 1.520) 6.331 6.607 ( 0.655 -0.638 -0.820) 1.228 6.636 ( 2.114 -2.323 -2.328) 3.910 6.662 ( -0.872 0.440 1.475) 1.769 6.700 ( 7.545 -1.504 2.830) 8.197 6.793 ( 1.422 -1.853 1.760) 2.925 7.024 ( 1.583 1.060 1.917) 2.703 7.064 ( -1.157 0.728 -1.184) 1.808 7.090 ( 0.054 -2.011 2.870) 3.505 7.167 ( -0.792 -4.393 -1.249) 4.636 7.382 ( -1.393 4.086 -1.236) 4.490 7.431 ( -0.697 3.394 -2.430) 4.232 7.505 ( 3.060 6.290 -1.990) 7.272 7.627 ( 2.197 3.439 -4.913) 6.387 8.156 ( -1.259 -2.479 2.583) 3.795 8.260 ( 1.100 -7.881 0.047) 7.957 8.568 ( -4.348 7.688 -3.250) 9.411 8.663 ( -2.018 4.752 -4.400) 6.783 10.237 ( -1.090 1.407 -0.041) 1.780 10.270 ( 1.229 0.943 0.115) 1.554 10.295 ( -1.083 -1.021 0.202) 1.502 10.320 ( 1.887 -0.618 1.213) 2.327 10.364 ( 0.283 -0.370 0.749) 0.882 10.378 ( 1.355 -0.492 0.507) 1.528 10.427 ( -0.473 0.938 0.718) 1.273 10.441 ( -0.561 0.385 -0.183) 0.705 11.483 ( 0.339 1.142 -1.022) 1.569 11.544 ( 0.463 -1.310 -3.353) 3.629 11.714 ( 1.716 0.656 1.964) 2.689 11.832 ( 3.103 -5.361 -1.621) 6.403 12.255 ( -0.411 4.974 -1.673) 5.264 12.323 ( 0.003 1.371 -2.977) 3.278 12.583 ( -1.385 -1.323 0.620) 2.013 12.602 ( -2.535 -1.777 0.745) 3.184 ======================= Grid point 79 (43/75) ======================= q-point: ( 0.29 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 13.150 0.324 12.241) 17.968 1.452 ( 11.169 4.055 6.290) 13.444 1.640 ( 3.381 -6.285 6.304) 9.522 1.751 ( 0.699 -2.501 4.874) 5.522 1.866 ( -0.405 -2.175 3.844) 4.435 1.904 ( 0.843 2.360 1.181) 2.770 1.935 ( 3.449 1.509 -2.991) 4.808 2.043 ( 1.051 0.070 -4.161) 4.292 2.097 ( -2.016 2.436 2.470) 4.012 2.161 ( 0.386 -1.360 -1.095) 1.788 2.193 ( 1.571 -2.863 -2.154) 3.912 2.257 ( -0.778 -2.373 2.362) 3.438 2.392 ( -4.328 6.910 0.782) 8.191 2.422 ( -3.074 -1.361 -0.850) 3.468 2.491 ( -1.442 1.352 -2.975) 3.572 2.583 ( 1.306 3.182 2.982) 4.552 2.668 ( -0.881 -0.083 1.674) 1.893 2.772 ( -1.340 4.301 -0.558) 4.539 2.825 ( 1.456 -0.746 0.987) 1.911 2.955 ( -2.071 -2.322 -1.910) 3.651 3.037 ( -0.630 -0.430 -0.959) 1.226 3.083 ( -1.909 -5.796 -1.549) 6.296 3.251 ( -1.750 -2.093 -1.831) 3.286 3.274 ( -2.838 2.472 -1.706) 4.132 3.368 ( 1.912 0.577 -2.531) 3.224 3.383 ( -3.694 -0.585 -1.995) 4.239 3.474 ( -4.091 1.510 -1.865) 4.743 3.517 ( 0.207 1.659 0.722) 1.821 3.585 ( -5.172 -7.126 -3.305) 9.405 3.720 ( 2.013 -1.199 4.099) 4.721 3.773 ( -3.193 -1.229 -1.616) 3.784 3.878 ( 0.467 -5.122 5.148) 7.277 3.928 ( 1.983 2.576 -2.859) 4.329 4.034 ( 0.775 -0.672 -1.719) 2.002 4.270 ( -3.345 4.432 -3.869) 6.768 4.357 ( 1.007 3.156 0.146) 3.316 4.503 ( -0.039 0.657 -1.982) 2.088 4.562 ( 0.500 -2.033 -0.065) 2.094 4.669 ( 3.041 0.707 -3.232) 4.494 4.713 ( 2.447 -1.431 -0.009) 2.835 4.756 ( 1.179 0.896 -0.787) 1.677 4.794 ( 2.665 -0.004 0.380) 2.692 5.046 ( 0.202 1.774 2.372) 2.968 5.129 ( -0.284 -1.551 1.172) 1.965 5.157 ( 0.118 0.769 0.525) 0.938 5.173 ( 0.735 0.218 1.525) 1.707 5.281 ( -0.366 1.678 -0.479) 1.783 5.392 ( -2.057 -2.904 -2.537) 4.371 5.564 ( -0.510 0.799 -0.397) 1.028 5.604 ( 2.228 -0.230 -2.052) 3.037 5.673 ( -2.022 1.641 3.522) 4.380 5.703 ( 0.753 0.723 0.891) 1.373 5.880 ( 0.219 1.617 1.078) 1.955 5.915 ( -1.814 0.243 2.878) 3.411 5.975 ( -0.094 -1.912 3.243) 3.766 5.987 ( -0.118 -1.713 -1.494) 2.276 6.071 ( -3.228 -0.249 2.403) 4.031 6.102 ( -1.578 -1.111 0.396) 1.970 6.191 ( -3.140 -0.411 1.424) 3.472 6.228 ( -2.407 -1.799 -0.284) 3.018 6.306 ( -1.986 0.688 -1.576) 2.627 6.381 ( -4.174 -1.064 0.330) 4.320 6.470 ( -0.735 4.257 1.029) 4.441 6.618 ( -1.541 -0.029 0.906) 1.788 6.635 ( -0.750 -0.430 -0.334) 0.927 6.651 ( 0.900 -2.413 -1.058) 2.784 6.820 ( 2.669 1.190 2.659) 3.951 6.855 ( 5.605 -1.418 3.698) 6.863 7.021 ( -2.364 0.645 -2.280) 3.347 7.056 ( -0.294 0.512 2.673) 2.737 7.100 ( 0.135 -4.220 2.529) 4.922 7.155 ( -0.030 -4.885 -1.820) 5.213 7.349 ( -1.427 4.155 -1.412) 4.614 7.399 ( -1.660 2.974 -2.445) 4.193 7.534 ( 0.562 5.881 -1.953) 6.222 7.628 ( -0.396 1.690 -2.979) 3.447 8.159 ( 0.940 -0.498 2.236) 2.476 8.284 ( 1.449 -6.675 -0.155) 6.832 8.506 ( -1.352 3.461 -1.632) 4.059 8.599 ( -2.668 2.127 -3.287) 4.738 10.225 ( -0.348 0.495 0.579) 0.838 10.269 ( -0.968 0.365 0.545) 1.170 10.297 ( 0.620 -1.186 -0.121) 1.343 10.326 ( -0.706 -0.659 0.089) 0.970 10.377 ( -0.450 1.633 0.956) 1.945 10.421 ( 0.213 -0.567 1.755) 1.856 10.433 ( 1.284 0.590 0.264) 1.438 10.451 ( 3.649 -0.076 0.118) 3.652 11.486 ( 0.322 1.029 -0.989) 1.463 11.546 ( 0.977 -1.363 -3.700) 4.062 11.743 ( 0.689 1.063 0.495) 1.360 11.852 ( 0.217 -4.014 -2.931) 4.975 12.240 ( -0.651 4.328 -0.687) 4.430 12.311 ( -0.075 1.023 -2.662) 2.853 12.553 ( -2.279 -1.294 1.725) 3.137 12.563 ( -1.363 -1.398 0.693) 2.072 ======================= Grid point 80 (44/75) ======================= q-point: ( 0.43 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 3.230 4.173 10.681) 11.914 1.635 ( -5.372 3.436 5.850) 8.653 1.685 ( 9.244 3.686 0.035) 9.952 1.782 ( -0.970 -2.457 4.877) 5.546 1.820 ( -1.186 -3.570 -0.364) 3.780 1.968 ( 4.644 -0.805 4.487) 6.508 2.036 ( 4.456 -1.371 -2.085) 5.107 2.062 ( 2.440 2.897 -0.232) 3.795 2.110 ( 1.564 1.697 5.613) 6.068 2.167 ( 2.421 -0.589 -2.688) 3.665 2.213 ( 1.727 -5.285 1.846) 5.858 2.287 ( 3.135 -5.867 -0.884) 6.711 2.324 ( -1.125 5.846 -1.625) 6.172 2.389 ( -0.441 -2.966 0.745) 3.089 2.470 ( -1.703 -0.075 -7.419) 7.612 2.479 ( -3.021 0.109 -1.326) 3.301 2.694 ( -1.955 1.190 -1.695) 2.848 2.791 ( 2.898 1.049 2.201) 3.788 2.871 ( 0.176 -1.894 -3.909) 4.348 2.933 ( 2.042 0.940 -1.258) 2.576 2.980 ( -2.126 -2.017 -2.548) 3.884 3.081 ( -4.877 -0.665 0.129) 4.924 3.138 ( -3.894 3.499 -0.678) 5.279 3.194 ( -4.289 1.981 0.913) 4.812 3.306 ( -3.677 -0.368 -1.995) 4.199 3.380 ( -3.830 -0.075 -0.543) 3.869 3.424 ( -7.493 -9.626 -4.099) 12.868 3.443 ( 4.416 0.423 -0.337) 4.449 3.586 ( 4.717 1.396 3.085) 5.807 3.686 ( -2.441 -0.148 -0.318) 2.466 3.799 ( 0.077 -3.793 4.082) 5.573 3.868 ( -0.635 4.499 2.487) 5.180 3.962 ( 1.874 -2.893 -1.967) 3.969 4.058 ( 1.595 -2.399 1.802) 3.398 4.209 ( -0.628 7.098 -5.380) 8.928 4.353 ( -1.222 3.144 -2.780) 4.372 4.511 ( 1.545 1.009 -0.914) 2.059 4.570 ( 0.065 -1.870 0.952) 2.100 4.688 ( 0.464 1.706 -3.156) 3.617 4.734 ( -0.209 -0.586 -0.777) 0.995 4.781 ( 1.300 -1.654 -0.990) 2.325 4.841 ( 1.808 -1.255 0.495) 2.255 5.057 ( 0.052 0.639 1.685) 1.803 5.124 ( -0.608 -1.989 0.780) 2.221 5.178 ( 1.857 1.197 0.556) 2.278 5.200 ( 1.190 0.571 2.487) 2.816 5.272 ( -0.848 0.219 -0.683) 1.111 5.335 ( -0.894 -1.094 -4.198) 4.429 5.570 ( -2.910 -0.092 1.159) 3.133 5.583 ( -1.861 -0.258 0.742) 2.020 5.680 ( 1.668 1.395 -0.365) 2.205 5.693 ( -1.452 1.081 -0.127) 1.815 5.884 ( 0.764 2.734 -0.253) 2.850 5.898 ( -1.118 -0.087 3.059) 3.258 5.960 ( -2.003 -2.502 3.695) 4.891 6.014 ( 1.592 -2.099 0.230) 2.645 6.045 ( 0.295 1.329 1.897) 2.335 6.098 ( 0.827 -1.566 -0.381) 1.812 6.163 ( 0.091 0.645 0.246) 0.696 6.201 ( -0.703 -1.822 -0.281) 1.973 6.297 ( 0.733 0.165 -1.158) 1.381 6.324 ( -1.097 -0.851 0.428) 1.453 6.475 ( 0.958 4.219 1.293) 4.515 6.550 ( -3.802 2.478 1.045) 4.657 6.634 ( -0.518 -0.475 -0.104) 0.710 6.675 ( 0.900 -2.950 -0.335) 3.103 6.877 ( 2.231 1.932 2.588) 3.925 6.951 ( 2.623 -1.764 3.088) 4.419 6.965 ( -2.631 0.480 -1.125) 2.901 7.028 ( -3.073 -2.849 2.615) 4.940 7.112 ( -0.032 -1.688 2.233) 2.799 7.156 ( 1.011 -3.343 -2.222) 4.140 7.323 ( -0.642 4.633 -1.071) 4.799 7.375 ( 0.927 2.137 -2.312) 3.282 7.517 ( -1.322 5.237 -1.279) 5.551 7.597 ( -1.674 0.406 -2.643) 3.155 8.200 ( 2.104 -0.624 2.138) 3.064 8.313 ( 1.377 -6.073 0.347) 6.237 8.491 ( 0.041 1.680 -1.385) 2.177 8.558 ( 0.171 0.813 -3.376) 3.477 10.224 ( 0.010 0.479 0.710) 0.856 10.256 ( -0.618 0.600 0.496) 0.994 10.304 ( -0.004 -0.968 0.406) 1.050 10.315 ( -0.295 -0.458 0.137) 0.562 10.362 ( -0.881 1.342 0.336) 1.640 10.412 ( -0.617 -1.001 0.597) 1.319 10.473 ( 1.396 1.364 1.547) 2.491 10.528 ( 3.879 -0.906 0.492) 4.014 11.485 ( -0.018 1.020 -1.031) 1.450 11.548 ( 0.659 -1.577 -4.075) 4.419 11.744 ( -0.609 1.033 -0.272) 1.230 11.828 ( -1.532 -2.628 -2.749) 4.100 12.227 ( -0.446 4.001 -0.034) 4.026 12.304 ( 0.457 0.813 -2.512) 2.679 12.527 ( -1.082 -0.920 2.054) 2.497 12.551 ( -0.256 -1.580 0.593) 1.707 ======================= Grid point 81 (45/75) ======================= q-point: (-0.43 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -12.653 4.677 11.782) 17.911 1.510 ( -12.668 7.962 6.771) 16.423 1.682 ( -5.921 -5.375 4.346) 9.101 1.827 ( 1.019 -4.389 4.666) 6.486 1.862 ( 3.720 5.956 -2.362) 7.408 2.029 ( -2.069 -0.883 2.757) 3.559 2.082 ( 0.369 1.299 -1.797) 2.248 2.104 ( 6.581 -3.712 -1.738) 7.753 2.181 ( 1.625 5.415 4.514) 7.235 2.217 ( -1.431 -2.786 -1.028) 3.296 2.242 ( 3.347 0.244 -1.709) 3.766 2.336 ( 3.893 3.192 -0.474) 5.057 2.397 ( 5.338 1.676 -5.621) 7.931 2.405 ( 3.252 -5.128 0.225) 6.077 2.424 ( 1.977 -1.122 -4.882) 5.386 2.560 ( 10.441 -5.339 4.355) 12.510 2.647 ( -1.708 4.070 -3.207) 5.456 2.766 ( -14.970 5.701 3.392) 16.374 2.811 ( -3.390 -0.651 -2.325) 4.162 2.882 ( -0.253 -4.708 -4.572) 6.568 2.951 ( -0.631 -1.277 1.650) 2.180 2.986 ( 2.600 0.209 -1.797) 3.167 3.076 ( -3.230 -4.560 -2.891) 6.291 3.235 ( 0.866 0.231 -0.141) 0.907 3.246 ( -2.040 1.904 -1.527) 3.181 3.270 ( -0.117 -0.600 1.438) 1.563 3.354 ( -1.304 -6.999 -2.691) 7.610 3.534 ( 4.325 0.502 -0.135) 4.356 3.654 ( 0.412 -3.837 1.401) 4.106 3.686 ( 1.640 1.839 0.324) 2.485 3.790 ( 0.976 -4.023 2.442) 4.807 3.887 ( -0.748 1.006 4.021) 4.212 3.992 ( 2.039 3.051 -1.915) 4.139 4.094 ( 1.857 0.013 2.135) 2.830 4.206 ( 1.713 4.403 -3.996) 6.188 4.299 ( -2.475 2.942 -4.942) 6.261 4.552 ( 2.371 1.274 0.894) 2.836 4.567 ( -0.459 0.388 -0.534) 0.804 4.673 ( -0.918 1.940 -2.590) 3.363 4.713 ( -0.880 -0.382 -2.040) 2.254 4.786 ( -0.263 -2.226 -0.950) 2.434 4.856 ( -0.582 -2.060 0.141) 2.145 5.069 ( 1.000 -0.256 1.449) 1.779 5.127 ( 1.018 -2.418 0.986) 2.802 5.210 ( 0.262 -0.444 2.053) 2.117 5.231 ( 0.799 0.175 1.715) 1.900 5.259 ( 0.795 1.910 -0.837) 2.232 5.323 ( 0.421 0.467 -3.735) 3.788 5.481 ( -5.429 0.366 2.123) 5.841 5.537 ( -3.790 -0.608 1.195) 4.021 5.666 ( -1.221 1.133 0.761) 1.831 5.698 ( -0.307 0.233 -0.936) 1.012 5.892 ( -0.758 -0.372 2.826) 2.949 5.914 ( -0.029 0.792 2.465) 2.589 5.936 ( 0.956 1.358 -0.557) 1.751 6.042 ( 0.650 -0.865 0.636) 1.255 6.062 ( 0.836 -0.378 1.675) 1.910 6.122 ( 0.654 -3.389 -0.104) 3.454 6.176 ( 1.703 1.671 -1.112) 2.632 6.216 ( 2.490 1.231 -0.312) 2.795 6.311 ( 1.724 1.343 -0.329) 2.210 6.359 ( 3.752 -1.853 -0.624) 4.231 6.490 ( -0.609 2.239 0.365) 2.349 6.538 ( 2.353 0.456 2.428) 3.411 6.609 ( -1.532 1.024 0.039) 1.843 6.660 ( -2.398 -2.220 -0.196) 3.274 6.912 ( -0.698 0.538 2.462) 2.615 6.929 ( -0.026 1.047 0.290) 1.086 6.964 ( -2.344 -1.195 1.968) 3.285 6.984 ( -1.706 -2.070 2.402) 3.601 7.121 ( 0.400 -0.901 0.843) 1.297 7.173 ( 1.355 -2.950 -1.243) 3.476 7.328 ( 1.327 4.707 -0.450) 4.912 7.418 ( 3.900 1.561 -2.442) 4.859 7.488 ( -1.186 3.806 -0.912) 4.089 7.554 ( -1.422 0.094 -2.570) 2.939 8.237 ( 0.565 -1.858 2.366) 3.061 8.327 ( -0.214 -6.776 0.080) 6.779 8.500 ( 1.962 2.952 -2.163) 4.152 8.587 ( 4.113 0.863 -4.095) 5.868 10.226 ( -0.376 0.968 0.678) 1.240 10.251 ( 0.046 0.609 0.519) 0.801 10.302 ( -0.138 -0.398 0.033) 0.422 10.318 ( 0.425 -0.747 0.203) 0.883 10.354 ( -0.056 1.124 0.917) 1.452 10.408 ( 0.098 -1.261 0.262) 1.291 10.489 ( -0.297 2.015 1.039) 2.286 10.598 ( 3.279 -2.469 0.313) 4.116 11.478 ( -0.225 0.940 -0.878) 1.306 11.536 ( -0.335 -1.528 -3.880) 4.183 11.720 ( -1.724 0.770 -0.207) 1.900 11.779 ( -2.610 -1.669 -2.017) 3.697 12.224 ( 0.164 4.237 0.077) 4.241 12.309 ( 1.026 0.818 -2.601) 2.913 12.529 ( 0.476 -0.861 1.939) 2.174 12.557 ( 0.684 -1.643 0.574) 1.870 ======================= Grid point 82 (46/75) ======================= q-point: (-0.29 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -13.351 9.082 14.078) 21.422 1.274 ( -14.199 9.664 11.707) 20.786 1.597 ( -4.712 -6.447 6.539) 10.321 1.787 ( -5.135 -13.099 6.930) 15.684 1.900 ( 1.256 6.403 -2.826) 7.111 1.999 ( -3.806 0.684 -5.994) 7.133 2.070 ( -1.715 0.340 0.205) 1.761 2.109 ( -4.272 -1.187 -4.470) 6.296 2.171 ( 0.805 0.913 1.626) 2.031 2.223 ( -4.337 3.842 5.491) 7.983 2.276 ( -7.680 1.477 6.818) 10.376 2.330 ( 1.304 4.495 -1.279) 4.852 2.413 ( 1.859 4.788 -0.209) 5.141 2.496 ( 4.828 -2.349 -1.976) 5.721 2.502 ( 6.637 0.204 -2.798) 7.206 2.585 ( 0.579 2.310 -3.091) 3.903 2.641 ( 3.411 2.978 -0.906) 4.618 2.736 ( -0.687 -2.239 -1.881) 3.004 2.808 ( 6.605 -1.753 0.586) 6.859 2.870 ( -2.587 -2.796 -0.571) 3.851 2.975 ( 7.226 -3.368 -1.749) 8.162 3.032 ( 0.577 -2.599 -2.053) 3.362 3.079 ( 2.819 -8.783 1.702) 9.380 3.182 ( 1.546 -2.657 -1.042) 3.246 3.243 ( 0.563 2.894 -1.605) 3.357 3.311 ( -0.944 -3.442 -2.879) 4.585 3.380 ( 5.799 -1.420 1.478) 6.151 3.589 ( 1.580 -0.014 -1.279) 2.033 3.659 ( -1.465 -3.574 4.121) 5.648 3.699 ( 0.316 -2.501 0.920) 2.683 3.826 ( 0.662 -1.889 -1.655) 2.597 3.876 ( -0.708 2.271 1.673) 2.908 4.016 ( 1.530 4.996 -2.177) 5.660 4.150 ( 2.074 4.760 -0.888) 5.267 4.210 ( -0.784 -2.024 -2.586) 3.376 4.263 ( 1.836 0.495 -0.441) 1.952 4.534 ( -1.658 4.122 -2.538) 5.117 4.606 ( 1.917 0.210 0.713) 2.055 4.642 ( -0.866 1.010 -2.776) 3.078 4.691 ( -0.608 -0.089 -2.933) 2.996 4.771 ( -0.961 -1.719 -0.344) 1.999 4.819 ( -3.030 -2.819 -0.798) 4.215 5.108 ( 2.044 -0.313 1.600) 2.614 5.177 ( 1.903 -1.834 2.920) 3.938 5.197 ( -1.450 -0.688 3.591) 3.933 5.237 ( 0.327 -0.569 0.401) 0.769 5.288 ( 1.227 1.354 -2.448) 3.054 5.317 ( 0.133 0.941 -2.609) 2.777 5.408 ( -1.300 2.120 3.007) 3.902 5.489 ( -1.161 1.154 0.903) 1.869 5.642 ( -1.809 0.006 3.014) 3.516 5.668 ( -2.320 -0.312 0.322) 2.363 5.872 ( -2.268 0.330 2.516) 3.403 5.898 ( -0.751 -0.650 1.638) 1.916 6.006 ( 4.212 1.724 -1.843) 4.910 6.038 ( -0.150 -0.258 2.683) 2.700 6.089 ( 0.370 -0.901 0.752) 1.231 6.130 ( 1.115 -1.482 0.983) 2.099 6.218 ( 1.780 3.110 -0.443) 3.610 6.263 ( 2.974 0.955 -1.107) 3.314 6.359 ( 3.255 2.167 -0.462) 3.937 6.439 ( 4.792 -1.805 -0.970) 5.212 6.493 ( 0.586 0.521 -0.502) 0.931 6.529 ( -3.162 -1.661 2.631) 4.436 6.583 ( -3.163 0.118 0.011) 3.165 6.672 ( 4.653 -1.715 -0.480) 4.982 6.878 ( -3.346 -0.730 2.151) 4.045 6.904 ( -3.433 -1.784 2.926) 4.851 6.957 ( 1.030 1.769 0.319) 2.072 6.975 ( 0.030 1.011 1.100) 1.494 7.133 ( 0.746 -1.081 0.516) 1.411 7.187 ( 0.198 -4.057 -0.772) 4.134 7.357 ( 1.690 5.319 -0.338) 5.591 7.455 ( -0.378 3.237 -2.984) 4.419 7.476 ( 0.764 2.337 -0.530) 2.515 7.553 ( 2.855 -1.095 -2.744) 4.108 8.235 ( -1.754 -2.628 1.887) 3.681 8.309 ( -1.258 -8.303 -0.685) 8.426 8.551 ( 4.329 5.148 -3.121) 7.415 8.665 ( 5.384 2.806 -5.677) 8.312 10.217 ( -0.614 0.795 0.874) 1.331 10.252 ( -0.456 -0.283 0.110) 0.548 10.305 ( 0.685 0.653 0.142) 0.957 10.326 ( 0.244 0.483 -0.384) 0.664 10.369 ( 1.034 0.456 1.313) 1.733 10.418 ( 0.812 -0.888 0.118) 1.209 10.472 ( -1.614 1.665 0.359) 2.347 10.639 ( 0.639 -5.278 -2.186) 5.749 11.475 ( 0.300 0.995 -0.562) 1.182 11.514 ( -0.329 -0.541 -2.118) 2.211 11.681 ( -2.267 0.160 0.862) 2.430 11.718 ( -3.072 -1.214 -0.784) 3.395 12.234 ( 0.933 4.989 -0.413) 5.092 12.321 ( 1.145 1.111 -2.811) 3.232 12.558 ( 1.805 -1.078 1.521) 2.595 12.578 ( 1.140 -1.541 0.591) 2.006 ======================= Grid point 83 (47/75) ======================= q-point: (-0.14 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -8.235 16.084 15.957) 24.107 1.090 ( -10.250 10.883 16.241) 22.075 1.560 ( -2.080 -8.209 7.639) 11.405 1.718 ( -5.190 -14.047 7.376) 16.693 1.814 ( -14.012 8.515 14.479) 21.874 1.898 ( 0.102 4.849 -3.794) 6.157 1.955 ( -6.301 1.056 3.447) 7.260 2.035 ( -2.679 0.246 -3.512) 4.424 2.126 ( 0.924 0.147 -5.226) 5.309 2.220 ( 1.958 0.894 -0.630) 2.243 2.274 ( -0.962 -3.172 0.646) 3.377 2.351 ( 0.624 8.010 3.323) 8.695 2.437 ( 0.111 3.950 -0.484) 3.982 2.522 ( -0.591 -4.410 -3.993) 5.978 2.588 ( 1.349 -2.253 2.471) 3.605 2.615 ( 4.147 0.642 -3.465) 5.442 2.729 ( 5.157 -2.256 -4.789) 7.391 2.763 ( 1.452 -1.357 -0.636) 2.087 2.813 ( 0.698 0.351 -1.032) 1.294 2.897 ( 2.712 1.226 -0.765) 3.073 3.029 ( 0.843 -1.308 -2.887) 3.280 3.111 ( 3.345 -2.989 2.782) 5.278 3.119 ( 4.269 -4.061 -1.922) 6.197 3.206 ( -1.858 -3.989 -0.479) 4.426 3.271 ( 4.214 0.897 -4.041) 5.906 3.396 ( 7.987 -6.043 3.382) 10.571 3.485 ( 5.041 -3.331 -0.123) 6.043 3.580 ( -0.536 -3.328 -2.056) 3.949 3.639 ( -1.585 -0.722 2.527) 3.069 3.690 ( -1.971 -1.771 1.466) 3.028 3.823 ( -0.046 0.325 -1.218) 1.261 3.868 ( -0.485 4.272 1.420) 4.528 4.014 ( -2.076 2.073 -2.624) 3.936 4.101 ( -3.137 2.995 -4.986) 6.609 4.233 ( 1.942 1.217 1.650) 2.824 4.332 ( 3.640 -2.749 1.050) 4.681 4.499 ( -0.466 4.009 -3.373) 5.260 4.592 ( -1.225 0.246 -4.872) 5.030 4.643 ( 0.351 -0.490 -1.320) 1.451 4.668 ( -0.812 0.203 -2.297) 2.445 4.743 ( -1.840 -1.574 -2.094) 3.201 4.761 ( -1.893 -1.422 1.079) 2.602 5.119 ( -2.650 1.896 2.723) 4.246 5.168 ( -0.116 0.466 1.988) 2.046 5.190 ( -1.115 0.145 -0.800) 1.380 5.238 ( -3.437 -0.931 1.168) 3.748 5.299 ( 1.808 -0.468 -0.104) 1.871 5.322 ( 1.580 0.173 -2.642) 3.083 5.468 ( 3.773 2.927 2.325) 5.311 5.547 ( 7.120 -0.870 3.126) 7.825 5.629 ( -1.013 -0.861 1.795) 2.234 5.638 ( -0.064 -1.106 5.430) 5.542 5.833 ( -3.133 1.896 1.575) 3.987 5.899 ( 0.403 -1.004 1.645) 1.969 6.020 ( -1.137 -0.131 0.358) 1.200 6.070 ( -1.370 -1.217 0.924) 2.052 6.103 ( 2.517 2.132 1.008) 3.449 6.170 ( 2.662 0.157 3.190) 4.158 6.241 ( 1.934 2.380 -0.785) 3.166 6.332 ( 4.247 -1.439 -0.071) 4.484 6.407 ( 0.908 1.421 0.546) 1.773 6.469 ( 0.064 -1.687 -4.288) 4.609 6.486 ( -1.273 -0.091 2.520) 2.825 6.553 ( 5.270 -1.728 0.642) 5.583 6.557 ( 0.348 3.158 1.002) 3.331 6.717 ( -0.746 -4.579 -0.633) 4.682 6.805 ( -5.320 -1.426 0.759) 5.560 6.832 ( -4.518 -1.265 -0.389) 4.708 6.984 ( 0.733 1.251 1.028) 1.778 6.994 ( 2.219 1.198 1.626) 3.000 7.155 ( 0.010 -1.724 1.687) 2.412 7.175 ( -0.160 -3.895 -0.901) 4.001 7.391 ( 2.197 5.572 -0.526) 6.012 7.433 ( -0.663 3.899 -1.350) 4.179 7.476 ( -0.247 2.526 -1.814) 3.120 7.598 ( 2.271 -1.009 -5.243) 5.802 8.189 ( -2.932 -2.344 1.093) 3.910 8.284 ( -1.333 -9.246 -0.050) 9.342 8.629 ( 4.896 7.241 -4.312) 9.747 8.721 ( 2.431 6.179 -7.670) 10.145 10.218 ( 0.578 0.134 0.682) 0.904 10.239 ( -0.696 -0.479 0.433) 0.949 10.312 ( -0.708 2.759 -0.696) 2.932 10.332 ( 0.964 0.448 0.151) 1.074 10.393 ( 0.691 -0.181 0.484) 0.863 10.436 ( 0.788 -0.170 0.167) 0.823 10.440 ( -1.525 -0.012 0.523) 1.612 10.562 ( -7.634 -5.549 -5.235) 10.792 11.483 ( 0.481 1.555 -1.236) 2.044 11.533 ( 2.817 -0.745 -0.755) 3.010 11.655 ( -0.828 -0.627 2.845) 3.029 11.675 ( -0.724 -1.621 2.103) 2.752 12.253 ( 1.237 5.712 -1.464) 6.025 12.329 ( 0.850 1.501 -2.992) 3.454 12.594 ( 0.921 -1.395 0.580) 1.769 12.607 ( 1.923 -1.489 0.566) 2.497 ======================= Grid point 84 (48/75) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -6.805 -13.991 9.340) 18.146 1.249 ( -6.805 13.991 9.340) 18.146 1.404 ( -0.567 -11.213 16.152) 19.670 1.404 ( -0.567 11.213 16.152) 19.670 1.879 ( 2.327 -4.317 -5.735) 7.546 1.879 ( 2.327 4.317 -5.735) 7.546 2.017 ( -1.157 -5.207 -3.560) 6.413 2.017 ( -1.157 5.207 -3.560) 6.413 2.142 ( -2.953 -4.081 3.255) 5.997 2.142 ( -2.953 4.081 3.255) 5.997 2.333 ( 0.321 -9.959 6.539) 11.918 2.333 ( 0.321 9.959 6.539) 11.918 2.438 ( -1.400 -5.407 2.434) 6.093 2.438 ( -1.400 5.407 2.434) 6.093 2.593 ( 0.839 -5.924 -0.999) 6.066 2.593 ( 0.839 5.924 -0.999) 6.066 2.728 ( -0.390 -2.091 -3.592) 4.175 2.728 ( -0.390 2.091 -3.592) 4.175 2.928 ( 1.176 -3.085 -1.927) 3.823 2.928 ( 1.176 3.085 -1.927) 3.823 3.091 ( -2.618 -1.097 0.903) 2.979 3.091 ( -2.618 1.097 0.903) 2.979 3.143 ( 5.909 -0.888 -4.107) 7.251 3.143 ( 5.909 0.888 -4.107) 7.251 3.390 ( 2.176 -3.419 2.417) 4.718 3.390 ( 2.176 3.419 2.417) 4.718 3.523 ( 2.426 -2.625 1.949) 4.072 3.523 ( 2.426 2.625 1.949) 4.072 3.632 ( -0.743 -0.756 -1.600) 1.919 3.632 ( -0.743 0.756 -1.600) 1.919 3.833 ( -2.325 -2.186 -3.135) 4.474 3.833 ( -2.325 2.186 -3.135) 4.474 4.022 ( -1.553 -3.634 -0.679) 4.010 4.022 ( -1.553 3.634 -0.679) 4.010 4.346 ( 2.488 -2.518 0.428) 3.566 4.346 ( 2.488 2.518 0.428) 3.566 4.540 ( -0.399 -1.943 -3.901) 4.377 4.540 ( -0.399 1.943 -3.901) 4.377 4.622 ( 0.071 -0.441 -3.847) 3.873 4.622 ( 0.071 0.441 -3.847) 3.873 4.741 ( 0.516 -0.848 0.759) 1.249 4.741 ( 0.516 0.848 0.759) 1.249 5.132 ( -2.633 -2.672 2.235) 4.367 5.132 ( -2.633 2.672 2.235) 4.367 5.182 ( -1.286 -0.310 0.369) 1.373 5.182 ( -1.286 0.310 0.369) 1.373 5.338 ( 1.571 -1.367 -1.410) 2.514 5.338 ( 1.571 1.367 -1.410) 2.514 5.580 ( 0.545 -1.146 2.186) 2.527 5.580 ( 0.545 1.146 2.186) 2.527 5.672 ( 3.089 -1.929 4.804) 6.029 5.672 ( 3.089 1.929 4.804) 6.029 5.845 ( -0.638 -1.998 1.322) 2.479 5.845 ( -0.638 1.998 1.322) 2.479 6.014 ( -1.514 -2.292 -0.184) 2.752 6.014 ( -1.514 2.292 -0.184) 2.752 6.166 ( -1.811 -2.324 4.796) 5.629 6.166 ( -1.811 2.324 4.796) 5.629 6.294 ( -1.824 -1.250 -0.579) 2.286 6.294 ( -1.824 1.250 -0.579) 2.286 6.481 ( 4.869 -1.907 -0.469) 5.250 6.481 ( 4.869 1.907 -0.469) 5.250 6.556 ( 0.474 -2.973 0.696) 3.090 6.556 ( 0.474 2.973 0.696) 3.090 6.604 ( -3.938 -2.085 -0.302) 4.466 6.604 ( -3.938 2.085 -0.302) 4.466 6.704 ( -1.504 -1.799 -0.871) 2.502 6.704 ( -1.504 1.799 -0.871) 2.502 7.032 ( 1.141 -1.414 2.335) 2.959 7.032 ( 1.141 1.414 2.335) 2.959 7.133 ( -0.950 -1.824 -0.591) 2.139 7.133 ( -0.950 1.824 -0.591) 2.139 7.468 ( -0.502 -1.378 -1.701) 2.246 7.468 ( -0.502 1.378 -1.701) 2.246 7.574 ( 3.187 -5.025 -3.728) 7.022 7.574 ( 3.187 5.025 -3.728) 7.022 8.146 ( -0.893 -2.160 1.629) 2.848 8.146 ( -0.893 2.160 1.629) 2.848 8.767 ( -0.472 -1.210 -7.826) 7.933 8.767 ( -0.472 1.210 -7.826) 7.933 10.245 ( 1.873 -0.287 0.362) 1.929 10.245 ( 1.873 0.287 0.362) 1.929 10.331 ( -2.695 -1.959 -0.671) 3.399 10.331 ( -2.695 1.959 -0.671) 3.399 10.368 ( -1.918 -0.945 0.046) 2.138 10.368 ( -1.918 0.945 0.046) 2.138 10.442 ( 0.277 -0.525 0.591) 0.838 10.442 ( 0.277 0.525 0.591) 0.838 11.519 ( 0.049 -1.971 -2.371) 3.083 11.519 ( 0.049 1.971 -2.371) 3.083 11.681 ( 2.786 -1.543 3.337) 4.613 11.681 ( 2.786 1.543 3.337) 4.613 12.340 ( 0.409 -1.556 -3.314) 3.684 12.340 ( 0.409 1.556 -3.314) 3.684 12.593 ( -0.332 -0.972 0.229) 1.053 12.593 ( -0.332 0.972 0.229) 1.053 ======================= Grid point 86 (49/75) ======================= q-point: ( 0.14 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 1.231 -12.967 9.718) 16.251 1.216 ( 1.231 12.967 9.718) 16.251 1.497 ( 3.834 -8.722 14.883) 17.671 1.497 ( 3.834 8.722 14.883) 17.671 1.927 ( 2.965 -3.406 -3.548) 5.743 1.927 ( 2.965 3.406 -3.548) 5.743 1.980 ( -0.827 -0.762 -2.410) 2.660 1.980 ( -0.827 0.762 -2.410) 2.660 2.117 ( -0.320 -3.074 -0.394) 3.115 2.117 ( -0.320 3.074 -0.394) 3.115 2.293 ( -4.080 -2.670 -2.906) 5.676 2.293 ( -4.080 2.670 -2.906) 5.676 2.476 ( 0.107 -4.281 3.667) 5.638 2.476 ( 0.107 4.281 3.667) 5.638 2.578 ( -0.756 -3.533 1.049) 3.762 2.578 ( -0.756 3.533 1.049) 3.762 2.709 ( 0.298 -7.913 0.530) 7.937 2.709 ( 0.298 7.913 0.530) 7.937 2.926 ( -0.945 -3.970 0.137) 4.083 2.926 ( -0.945 3.970 0.137) 4.083 3.019 ( -3.904 -2.218 1.188) 4.645 3.019 ( -3.904 2.218 1.188) 4.645 3.250 ( 5.844 -2.321 -4.910) 7.978 3.250 ( 5.844 2.321 -4.910) 7.978 3.412 ( -0.658 -2.677 0.824) 2.877 3.412 ( -0.658 2.677 0.824) 2.877 3.530 ( -2.154 -1.350 2.700) 3.708 3.530 ( -2.154 1.350 2.700) 3.708 3.644 ( 1.310 -5.931 -3.141) 6.838 3.644 ( 1.310 5.931 -3.141) 6.838 3.764 ( -2.424 -2.849 -1.537) 4.044 3.764 ( -2.424 2.849 -1.537) 4.044 4.017 ( 0.460 -3.219 -0.683) 3.323 4.017 ( 0.460 3.219 -0.683) 3.323 4.366 ( 0.003 -1.892 -2.072) 2.806 4.366 ( 0.003 1.892 -2.072) 2.806 4.532 ( 0.231 -0.947 -1.660) 1.925 4.532 ( 0.231 0.947 -1.660) 1.925 4.634 ( 2.638 -1.069 -2.855) 4.031 4.634 ( 2.638 1.069 -2.855) 4.031 4.759 ( 1.151 -0.306 0.075) 1.193 4.759 ( 1.151 0.306 0.075) 1.193 5.099 ( -1.652 -2.731 2.262) 3.912 5.099 ( -1.652 2.731 2.262) 3.912 5.164 ( -0.430 -0.366 0.588) 0.815 5.164 ( -0.430 0.366 0.588) 0.815 5.352 ( 0.130 -2.712 -1.006) 2.896 5.352 ( 0.130 2.712 -1.006) 2.896 5.589 ( -0.582 -0.590 1.302) 1.543 5.589 ( -0.582 0.590 1.302) 1.543 5.692 ( -0.189 -1.706 1.628) 2.366 5.692 ( -0.189 1.706 1.628) 2.366 5.889 ( 2.353 -2.274 3.806) 5.019 5.889 ( 2.353 2.274 3.806) 5.019 5.981 ( -1.785 -2.283 -0.299) 2.913 5.981 ( -1.785 2.283 -0.299) 2.913 6.125 ( -3.711 -1.220 3.629) 5.332 6.125 ( -3.711 1.220 3.629) 5.332 6.245 ( -2.938 -1.289 0.224) 3.216 6.245 ( -2.938 1.289 0.224) 3.216 6.429 ( -6.382 -1.836 -1.744) 6.866 6.429 ( -6.382 1.836 -1.744) 6.866 6.554 ( 1.014 -4.743 0.093) 4.851 6.554 ( 1.014 4.743 0.093) 4.851 6.635 ( 2.079 -2.350 0.507) 3.178 6.635 ( 2.079 2.350 0.507) 3.178 6.732 ( 4.002 -3.491 1.706) 5.578 6.732 ( 4.002 3.491 1.706) 5.578 7.055 ( 0.080 -1.793 2.156) 2.805 7.055 ( 0.080 1.793 2.156) 2.805 7.099 ( -1.654 -2.356 -1.258) 3.141 7.099 ( -1.654 2.356 -1.258) 3.141 7.448 ( -0.898 -1.722 -2.295) 3.006 7.448 ( -0.898 1.722 -2.295) 3.006 7.615 ( 2.135 -4.163 -3.378) 5.771 7.615 ( 2.135 4.163 -3.378) 5.771 8.150 ( 0.586 -2.616 1.816) 3.238 8.150 ( 0.586 2.616 1.816) 3.238 8.685 ( -4.596 -2.894 -5.637) 7.827 8.685 ( -4.596 2.894 -5.637) 7.827 10.267 ( -1.404 -1.500 -0.317) 2.078 10.267 ( -1.404 1.500 -0.317) 2.078 10.298 ( 1.145 -1.395 0.688) 1.932 10.298 ( 1.145 1.395 0.688) 1.932 10.367 ( 1.415 -0.516 0.682) 1.654 10.367 ( 1.415 0.516 0.682) 1.654 10.441 ( -0.522 -0.389 0.314) 0.723 10.441 ( -0.522 0.389 0.314) 0.723 11.512 ( 0.319 -1.739 -2.148) 2.782 11.512 ( 0.319 1.739 -2.148) 2.782 11.747 ( 2.660 -2.910 1.068) 4.085 11.747 ( 2.660 2.910 1.068) 4.085 12.327 ( -0.359 -1.722 -2.910) 3.401 12.327 ( -0.359 1.722 -2.910) 3.401 12.572 ( -1.834 -0.668 0.712) 2.077 12.572 ( -1.834 0.668 0.712) 2.077 ======================= Grid point 88 (50/75) ======================= q-point: ( 0.29 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 12.227 -8.248 9.008) 17.282 1.387 ( 12.227 8.248 9.008) 17.282 1.641 ( 5.693 -6.480 11.249) 14.175 1.641 ( 5.693 6.480 11.249) 14.175 1.872 ( -5.396 -1.979 0.059) 5.748 1.872 ( -5.396 1.979 0.059) 5.748 2.036 ( 4.893 -5.964 -3.518) 8.479 2.036 ( 4.893 5.964 -3.518) 8.479 2.121 ( -0.318 -1.542 0.733) 1.737 2.121 ( -0.318 1.542 0.733) 1.737 2.212 ( -1.723 -3.728 -4.297) 5.944 2.212 ( -1.723 3.728 -4.297) 5.944 2.429 ( -2.555 -4.036 -1.604) 5.039 2.429 ( -2.555 4.036 -1.604) 5.039 2.550 ( -3.952 -4.911 -0.289) 6.311 2.550 ( -3.952 4.911 -0.289) 6.311 2.741 ( 1.194 -6.913 0.054) 7.016 2.741 ( 1.194 6.913 0.054) 7.016 2.906 ( -1.711 -5.575 -0.373) 5.843 2.906 ( -1.711 5.575 -0.373) 5.843 2.995 ( 1.745 -3.840 3.073) 5.219 2.995 ( 1.745 3.840 3.073) 5.219 3.289 ( -1.287 -4.099 -2.344) 4.894 3.289 ( -1.287 4.099 -2.344) 4.894 3.361 ( -3.040 -1.539 -3.056) 4.577 3.361 ( -3.040 1.539 -3.056) 4.577 3.479 ( -4.480 -0.747 -1.296) 4.723 3.479 ( -4.480 0.747 -1.296) 4.723 3.661 ( 3.037 -8.983 2.110) 9.715 3.661 ( 3.037 8.983 2.110) 9.715 3.750 ( -0.793 -3.318 2.495) 4.226 3.750 ( -0.793 3.318 2.495) 4.226 4.009 ( -0.697 -3.035 -2.111) 3.762 4.009 ( -0.697 3.035 -2.111) 3.762 4.351 ( -0.017 -3.041 -3.367) 4.537 4.351 ( -0.017 3.041 -3.367) 4.537 4.534 ( 0.564 -1.636 -1.120) 2.061 4.534 ( 0.564 1.636 -1.120) 2.061 4.680 ( 2.377 -1.193 -1.073) 2.868 4.680 ( 2.377 1.193 -1.073) 2.868 4.782 ( 1.342 -1.102 -0.720) 1.880 4.782 ( 1.342 1.102 -0.720) 1.880 5.088 ( -0.575 -2.288 2.094) 3.155 5.088 ( -0.575 2.288 2.094) 3.155 5.174 ( 0.995 -0.425 1.354) 1.733 5.174 ( 0.995 0.425 1.354) 1.733 5.327 ( -1.867 -3.069 -1.907) 4.067 5.327 ( -1.867 3.069 -1.907) 4.067 5.587 ( 0.602 -1.292 -0.745) 1.608 5.587 ( 0.602 1.292 -0.745) 1.608 5.705 ( 0.002 -0.863 2.080) 2.252 5.705 ( 0.002 0.863 2.080) 2.252 5.919 ( -0.549 -1.915 4.351) 4.785 5.919 ( -0.549 1.915 4.351) 4.785 5.947 ( -1.255 -1.482 -0.833) 2.113 5.947 ( -1.255 1.482 -0.833) 2.113 6.078 ( -1.819 -0.977 1.872) 2.787 6.078 ( -1.819 0.977 1.872) 2.787 6.196 ( -2.026 -1.142 0.222) 2.336 6.196 ( -2.026 1.142 0.222) 2.336 6.333 ( -3.223 -2.079 -0.494) 3.867 6.333 ( -3.223 2.079 -0.494) 3.867 6.579 ( 0.885 -3.899 0.437) 4.022 6.579 ( 0.885 3.899 0.437) 4.022 6.629 ( -1.215 -1.678 -0.041) 2.072 6.629 ( -1.215 1.678 -0.041) 2.072 6.834 ( 4.526 -0.893 3.320) 5.684 6.834 ( 4.526 0.893 3.320) 5.684 7.037 ( -2.253 -1.354 -0.538) 2.682 7.037 ( -2.253 1.354 -0.538) 2.682 7.086 ( 0.464 -2.268 0.723) 2.425 7.086 ( 0.464 2.268 0.723) 2.425 7.416 ( -1.348 -1.669 -2.499) 3.294 7.416 ( -1.348 1.669 -2.499) 3.294 7.620 ( -0.322 -2.716 -2.903) 3.988 7.620 ( -0.322 2.716 -2.903) 3.988 8.179 ( 1.563 -3.161 2.097) 4.103 8.179 ( 1.563 3.161 2.097) 4.103 8.586 ( -3.508 -3.244 -3.571) 5.965 8.586 ( -3.508 3.244 -3.571) 5.965 10.246 ( -0.591 -1.572 0.297) 1.706 10.246 ( -0.591 1.572 0.297) 1.706 10.308 ( -0.146 -1.176 0.328) 1.229 10.308 ( -0.146 1.176 0.328) 1.229 10.405 ( -0.117 -1.102 1.316) 1.720 10.405 ( -0.117 1.102 1.316) 1.720 10.445 ( 2.419 -0.528 0.021) 2.476 10.445 ( 2.419 0.528 0.021) 2.476 11.514 ( 0.569 -1.685 -2.210) 2.837 11.514 ( 0.569 1.685 -2.210) 2.837 11.781 ( 0.834 -2.861 -0.714) 3.064 11.781 ( 0.834 2.861 -0.714) 3.064 12.309 ( -0.487 -1.904 -2.161) 2.921 12.309 ( -0.487 1.904 -2.161) 2.921 12.540 ( -1.720 -0.413 1.247) 2.164 12.540 ( -1.720 0.413 1.247) 2.164 ======================= Grid point 90 (51/75) ======================= q-point: ( 0.43 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 2.582 -4.849 10.225) 11.607 1.630 ( 2.582 4.849 10.225) 11.607 1.752 ( -0.252 -1.857 2.419) 3.060 1.752 ( -0.252 1.857 2.419) 3.060 1.831 ( 7.732 -8.445 1.749) 11.582 1.831 ( 7.732 8.445 1.749) 11.582 2.058 ( -2.638 -1.648 2.771) 4.166 2.058 ( -2.638 1.648 2.771) 4.166 2.129 ( 3.126 -1.220 1.028) 3.510 2.129 ( 3.126 1.220 1.028) 3.510 2.223 ( 3.042 -2.773 -0.284) 4.126 2.223 ( 3.042 2.773 -0.284) 4.126 2.407 ( 1.814 -6.013 -6.997) 9.402 2.407 ( 1.814 6.013 -6.997) 9.402 2.450 ( -5.140 -3.000 -1.763) 6.207 2.450 ( -5.140 3.000 -1.763) 6.207 2.755 ( 0.798 -5.171 1.441) 5.427 2.755 ( 0.798 5.171 1.441) 5.427 2.854 ( -1.960 -2.549 -5.708) 6.552 2.854 ( -1.960 2.549 -5.708) 6.552 3.052 ( 1.158 -5.255 -1.874) 5.698 3.052 ( 1.158 5.255 -1.874) 5.698 3.168 ( -7.247 -7.051 -3.894) 10.835 3.168 ( -7.247 7.051 -3.894) 10.835 3.358 ( -1.473 -2.332 2.837) 3.957 3.358 ( -1.473 2.332 2.837) 3.957 3.370 ( -2.582 -4.667 0.537) 5.360 3.370 ( -2.582 4.667 0.537) 5.360 3.712 ( -1.673 -2.713 1.516) 3.529 3.712 ( -1.673 2.713 1.516) 3.529 3.753 ( 1.882 -8.937 3.504) 9.782 3.753 ( 1.882 8.937 3.504) 9.782 4.009 ( 1.974 -4.005 -0.131) 4.467 4.009 ( 1.974 4.005 -0.131) 4.467 4.337 ( -0.226 -4.542 -4.758) 6.581 4.337 ( -0.226 4.542 -4.758) 6.581 4.544 ( 0.960 -1.717 -0.431) 2.014 4.544 ( 0.960 1.717 -0.431) 2.014 4.707 ( 0.928 -1.113 -0.653) 1.589 4.707 ( 0.928 1.113 -0.653) 1.589 4.797 ( 0.455 -2.396 -1.457) 2.841 4.797 ( 0.455 2.396 -1.457) 2.841 5.083 ( -0.677 -1.906 1.091) 2.298 5.083 ( -0.677 1.906 1.091) 2.298 5.201 ( 1.005 -0.775 1.650) 2.082 5.201 ( 1.005 0.775 1.650) 2.082 5.296 ( -0.058 -2.239 -1.894) 2.933 5.296 ( -0.058 2.239 -1.894) 2.933 5.575 ( -2.661 -0.466 0.514) 2.750 5.575 ( -2.661 0.466 0.514) 2.750 5.702 ( -0.380 -0.435 0.420) 0.714 5.702 ( -0.380 0.435 0.420) 0.714 5.912 ( -1.436 -1.431 4.518) 4.952 5.912 ( -1.436 1.431 4.518) 4.952 5.954 ( 2.173 -3.297 -1.580) 4.253 5.954 ( 2.173 3.297 -1.580) 4.253 6.070 ( -0.122 -1.282 1.448) 1.937 6.070 ( -0.122 1.282 1.448) 1.937 6.177 ( 0.385 -0.847 -0.531) 1.071 6.177 ( 0.385 0.847 -0.531) 1.071 6.302 ( 0.003 -0.741 0.011) 0.741 6.302 ( 0.003 0.741 0.011) 0.741 6.557 ( -2.206 -2.467 0.786) 3.402 6.557 ( -2.206 2.467 0.786) 3.402 6.634 ( 0.564 -0.976 0.709) 1.332 6.634 ( 0.564 0.976 0.709) 1.332 6.913 ( 2.537 -1.822 2.853) 4.231 6.913 ( 2.537 1.822 2.853) 4.231 6.983 ( -3.107 -1.513 0.482) 3.489 6.983 ( -3.107 1.513 0.482) 3.489 7.105 ( 1.075 -1.357 0.106) 1.734 7.105 ( 1.075 1.357 0.106) 1.734 7.393 ( 0.206 -1.376 -2.384) 2.760 7.393 ( 0.206 1.376 -2.384) 2.760 7.587 ( -1.834 -1.741 -2.665) 3.673 7.587 ( -1.834 1.741 -2.665) 3.673 8.216 ( 1.125 -2.888 2.558) 4.019 8.216 ( 1.125 2.888 2.558) 4.019 8.538 ( -0.000 -2.392 -3.129) 3.939 8.538 ( -0.000 2.392 -3.129) 3.939 10.244 ( 0.218 -1.313 0.115) 1.336 10.244 ( 0.218 1.313 0.115) 1.336 10.304 ( -0.369 -0.664 0.699) 1.032 10.304 ( -0.369 0.664 0.699) 1.032 10.389 ( -1.080 -1.308 0.834) 1.890 10.389 ( -1.080 1.308 0.834) 1.890 10.503 ( 2.646 -1.488 0.577) 3.090 10.503 ( 2.646 1.488 0.577) 3.090 11.513 ( 0.189 -1.739 -2.256) 2.855 11.513 ( 0.189 1.739 -2.256) 2.855 11.776 ( -0.780 -2.261 -1.402) 2.773 11.776 ( -0.780 2.261 -1.402) 2.773 12.297 ( 0.031 -2.166 -1.625) 2.708 12.297 ( 0.031 2.166 -1.625) 2.708 12.522 ( -0.644 -0.796 1.378) 1.717 12.522 ( -0.644 0.796 1.378) 1.717 ======================= Grid point 92 (52/75) ======================= q-point: (-0.43 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -9.220 -7.287 9.771) 15.284 1.551 ( -9.220 7.287 9.771) 15.284 1.683 ( -9.310 -8.755 5.871) 14.064 1.683 ( -9.310 8.755 5.871) 14.064 1.992 ( 5.773 -6.500 -3.876) 9.518 1.992 ( 5.773 6.500 -3.876) 9.518 2.069 ( 0.924 -3.360 2.021) 4.028 2.069 ( 0.924 3.360 2.021) 4.028 2.198 ( 0.909 -1.586 2.188) 2.852 2.198 ( 0.909 1.586 2.188) 2.852 2.325 ( 5.752 -3.580 3.595) 7.670 2.325 ( 5.752 3.580 3.595) 7.670 2.390 ( 2.495 -2.674 -2.595) 4.485 2.390 ( 2.495 2.674 -2.595) 4.485 2.460 ( 8.179 -4.579 -7.358) 11.917 2.460 ( 8.179 4.579 -7.358) 11.917 2.730 ( -3.849 -5.271 -4.038) 7.674 2.730 ( -3.849 5.271 -4.038) 7.674 2.839 ( 1.063 -2.269 -0.923) 2.670 2.839 ( 1.063 2.269 -0.923) 2.670 2.972 ( -8.422 -7.893 -0.018) 11.543 2.972 ( -8.422 7.893 -0.018) 11.543 3.047 ( -1.981 -5.956 -3.641) 7.256 3.047 ( -1.981 5.956 -3.641) 7.256 3.304 ( -0.543 -2.121 -1.825) 2.851 3.304 ( -0.543 2.121 -1.825) 2.851 3.428 ( 2.424 -9.684 6.581) 11.957 3.428 ( 2.424 9.684 6.581) 11.957 3.667 ( -2.426 -3.898 1.035) 4.707 3.667 ( -2.426 3.898 1.035) 4.707 3.804 ( 2.656 -5.734 -0.024) 6.319 3.804 ( 2.656 5.734 -0.024) 6.319 4.069 ( 3.024 -3.232 2.612) 5.139 4.069 ( 3.024 3.232 2.612) 5.139 4.300 ( -1.330 -3.198 -6.574) 7.431 4.300 ( -1.330 3.198 -6.574) 7.431 4.571 ( 1.753 -0.371 0.404) 1.837 4.571 ( 1.753 0.371 0.404) 1.837 4.711 ( -0.315 -1.106 -0.783) 1.391 4.711 ( -0.315 1.106 -0.783) 1.391 4.783 ( -1.162 -3.289 -2.129) 4.086 4.783 ( -1.162 3.289 -2.129) 4.086 5.084 ( 0.868 -1.681 0.950) 2.117 5.084 ( 0.868 1.681 0.950) 2.117 5.218 ( -0.018 -0.966 2.026) 2.245 5.218 ( -0.018 0.966 2.026) 2.245 5.306 ( 1.222 -1.944 -1.715) 2.866 5.306 ( 1.222 1.944 -1.715) 2.866 5.507 ( -4.040 -1.865 1.862) 4.824 5.507 ( -4.040 1.865 1.862) 4.824 5.690 ( -1.228 -1.012 -0.171) 1.600 5.690 ( -1.228 1.012 -0.171) 1.600 5.901 ( -1.601 -1.016 3.798) 4.245 5.901 ( -1.601 1.016 3.798) 4.245 5.999 ( 2.945 -3.476 -1.575) 4.821 5.999 ( 2.945 3.476 -1.575) 4.821 6.068 ( -0.298 -1.368 1.214) 1.853 6.068 ( -0.298 1.368 1.214) 1.853 6.213 ( 3.097 -1.477 -1.031) 3.583 6.213 ( 3.097 1.477 -1.031) 3.583 6.331 ( 2.943 -0.979 -0.047) 3.102 6.331 ( 2.943 0.979 -0.047) 3.102 6.535 ( -0.684 -1.238 1.185) 1.845 6.535 ( -0.684 1.238 1.185) 1.845 6.625 ( -1.593 -1.060 0.719) 2.044 6.625 ( -1.593 1.060 0.719) 2.044 6.925 ( -2.787 -1.043 2.715) 4.028 6.925 ( -2.787 1.043 2.715) 4.028 6.960 ( 1.077 -0.834 0.780) 1.570 6.960 ( 1.077 0.834 0.780) 1.570 7.122 ( 0.681 -1.497 -0.071) 1.646 7.122 ( 0.681 1.497 -0.071) 1.646 7.413 ( 2.628 -2.843 -1.996) 4.355 7.413 ( 2.628 2.843 -1.996) 4.355 7.543 ( -1.485 -1.535 -2.597) 3.362 7.543 ( -1.485 1.535 -2.597) 3.362 8.230 ( -0.793 -2.166 2.477) 3.385 8.230 ( -0.793 2.166 2.477) 3.385 8.564 ( 4.011 -2.835 -3.718) 6.160 8.564 ( 4.011 2.835 -3.718) 6.160 10.248 ( -0.104 -0.973 0.034) 0.979 10.248 ( -0.104 0.973 0.034) 0.979 10.303 ( 0.248 -0.643 0.714) 0.993 10.303 ( 0.248 0.643 0.714) 0.993 10.381 ( -0.017 -1.435 0.787) 1.637 10.381 ( -0.017 1.435 0.787) 1.637 10.540 ( 0.963 -3.007 0.283) 3.170 10.540 ( 0.963 3.007 0.283) 3.170 11.504 ( -0.257 -1.570 -1.849) 2.439 11.504 ( -0.257 1.570 -1.849) 2.439 11.744 ( -2.044 -1.624 -1.255) 2.896 11.744 ( -2.044 1.624 -1.255) 2.896 12.299 ( 0.897 -2.415 -1.649) 3.059 12.299 ( 0.897 2.415 -1.649) 3.059 12.526 ( 0.535 -0.964 1.325) 1.724 12.526 ( 0.535 0.964 1.325) 1.724 ======================= Grid point 94 (53/75) ======================= q-point: (-0.29 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -7.715 -10.464 11.727) 17.508 1.425 ( -7.715 10.464 11.727) 17.508 1.512 ( -10.471 -13.492 10.758) 20.184 1.512 ( -10.471 13.492 10.758) 20.184 2.013 ( -3.711 -2.050 -6.099) 7.428 2.013 ( -3.711 2.050 -6.099) 7.428 2.055 ( 1.399 -4.169 -6.585) 7.918 2.055 ( 1.399 4.169 -6.585) 7.918 2.203 ( 0.872 -3.085 2.578) 4.114 2.203 ( 0.872 3.085 2.578) 4.114 2.399 ( -0.397 -5.377 5.047) 7.385 2.399 ( -0.397 5.377 5.047) 7.385 2.451 ( 3.440 -5.293 -3.952) 7.448 2.451 ( 3.440 5.293 -3.952) 7.448 2.573 ( -4.190 -7.755 0.366) 8.822 2.573 ( -4.190 7.755 0.366) 8.822 2.715 ( 0.953 -2.199 -3.279) 4.061 2.715 ( 0.953 2.199 -3.279) 4.061 2.751 ( 4.872 -4.249 1.273) 6.589 2.751 ( 4.872 4.249 1.273) 6.589 2.955 ( 2.537 -3.501 0.826) 4.402 2.955 ( 2.537 3.501 0.826) 4.402 3.053 ( 3.519 -5.370 -1.686) 6.638 3.053 ( 3.519 5.370 -1.686) 6.638 3.292 ( 0.141 -0.821 -2.705) 2.830 3.292 ( 0.141 0.821 -2.705) 2.830 3.481 ( 0.551 -8.222 4.208) 9.253 3.481 ( 0.551 8.222 4.208) 9.253 3.649 ( 0.062 -2.142 1.027) 2.376 3.649 ( 0.062 2.142 1.027) 2.376 3.846 ( 1.822 -2.870 -1.629) 3.769 3.846 ( 1.822 2.870 -1.629) 3.769 4.123 ( 1.215 -4.501 0.760) 4.723 4.123 ( 1.215 4.501 0.760) 4.723 4.251 ( -0.741 -2.287 -3.895) 4.577 4.251 ( -0.741 2.287 -3.895) 4.577 4.599 ( 1.051 -1.442 -2.466) 3.044 4.599 ( 1.051 1.442 -2.466) 3.044 4.687 ( -1.971 -2.497 -0.502) 3.221 4.687 ( -1.971 2.497 -0.502) 3.221 4.748 ( -1.268 -0.943 -1.645) 2.281 4.748 ( -1.268 0.943 -1.645) 2.281 5.130 ( 3.037 -2.162 2.549) 4.516 5.130 ( 3.037 2.162 2.549) 4.516 5.212 ( -1.613 -1.460 2.505) 3.318 5.212 ( -1.613 1.460 2.505) 3.318 5.313 ( 0.412 -1.010 -3.024) 3.215 5.313 ( 0.412 1.010 -3.024) 3.215 5.469 ( -0.172 -2.818 2.323) 3.657 5.469 ( -0.172 2.818 2.323) 3.657 5.654 ( -2.517 -0.937 1.142) 2.919 5.654 ( -2.517 0.937 1.142) 2.919 5.885 ( -1.038 -0.719 2.362) 2.678 5.885 ( -1.038 0.719 2.362) 2.678 6.036 ( 0.632 -0.848 1.327) 1.697 6.036 ( 0.632 0.848 1.327) 1.697 6.089 ( 2.455 -1.665 -0.117) 2.969 6.089 ( 2.455 1.665 -0.117) 2.969 6.264 ( 2.362 -1.264 -0.571) 2.739 6.264 ( 2.362 1.264 -0.571) 2.739 6.403 ( 4.462 -1.961 -0.698) 4.924 6.403 ( 4.462 1.961 -0.698) 4.924 6.501 ( -3.453 -0.491 1.046) 3.641 6.501 ( -3.453 0.491 1.046) 3.641 6.622 ( 1.289 -3.085 0.149) 3.346 6.622 ( 1.289 3.085 0.149) 3.346 6.877 ( -3.446 -0.708 2.716) 4.444 6.877 ( -3.446 0.708 2.716) 4.444 6.983 ( 1.041 -0.495 0.353) 1.205 6.983 ( 1.041 0.495 0.353) 1.205 7.128 ( 0.026 -1.342 0.039) 1.343 7.128 ( 0.026 1.342 0.039) 1.343 7.462 ( 2.600 -4.220 -1.025) 5.062 7.462 ( 2.600 4.220 -1.025) 5.062 7.518 ( 0.149 -2.356 -3.284) 4.045 7.518 ( 0.149 2.356 -3.284) 4.045 8.208 ( -2.199 -1.259 1.826) 3.123 8.208 ( -2.199 1.259 1.826) 3.123 8.651 ( 6.488 -3.753 -5.117) 9.075 8.651 ( 6.488 3.753 -5.117) 9.075 10.237 ( -0.937 -1.092 0.538) 1.536 10.237 ( -0.937 1.092 0.538) 1.536 10.321 ( 1.290 -0.801 -0.104) 1.522 10.321 ( 1.290 0.801 -0.104) 1.522 10.393 ( 0.851 -1.521 0.857) 1.942 10.393 ( 0.851 1.521 0.857) 1.942 10.534 ( -1.704 -4.598 -0.794) 4.967 10.534 ( -1.704 4.598 -0.794) 4.967 11.497 ( 0.353 -1.116 -0.929) 1.494 11.497 ( 0.353 1.116 -0.929) 1.494 11.693 ( -2.820 -1.056 -0.209) 3.018 11.693 ( -2.820 1.056 -0.209) 3.018 12.316 ( 1.547 -2.310 -2.259) 3.582 12.316 ( 1.547 2.310 -2.259) 3.582 12.550 ( 1.389 -0.707 1.133) 1.927 12.550 ( 1.389 0.707 1.133) 1.927 ======================= Grid point 96 (54/75) ======================= q-point: (-0.14 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -6.621 -13.039 11.520) 18.616 1.342 ( -6.621 13.039 11.520) 18.616 1.404 ( -5.450 -16.821 13.945) 22.519 1.404 ( -5.450 16.821 13.945) 22.519 1.908 ( -2.985 -3.054 -7.051) 8.244 1.908 ( -2.985 3.054 -7.051) 8.244 2.047 ( 0.207 -5.281 -6.518) 8.391 2.047 ( 0.207 5.281 -6.518) 8.391 2.212 ( -3.432 -2.503 1.691) 4.572 2.212 ( -3.432 2.503 1.691) 4.572 2.315 ( -5.475 -14.051 13.164) 20.017 2.315 ( -5.475 14.051 13.164) 20.017 2.470 ( -1.050 -4.656 0.353) 4.786 2.470 ( -1.050 4.656 0.353) 4.786 2.557 ( 3.180 -6.157 -4.545) 8.287 2.557 ( 3.180 6.157 -4.545) 8.287 2.715 ( 2.377 -1.812 -2.163) 3.690 2.715 ( 2.377 1.812 -2.163) 3.690 2.896 ( 4.050 -2.715 -2.593) 5.523 2.896 ( 4.050 2.715 -2.593) 5.523 3.022 ( 5.613 -1.458 -1.378) 5.961 3.022 ( 5.613 1.458 -1.378) 5.961 3.122 ( 1.660 -3.571 1.171) 4.108 3.122 ( 1.660 3.571 1.171) 4.108 3.318 ( 3.718 -3.237 0.290) 4.938 3.318 ( 3.718 3.237 0.290) 4.938 3.488 ( 0.140 -3.862 0.508) 3.898 3.488 ( 0.140 3.862 0.508) 3.898 3.654 ( -0.586 -1.613 0.955) 1.964 3.654 ( -0.586 1.613 0.955) 1.964 3.858 ( 0.157 -2.743 -1.337) 3.055 3.858 ( 0.157 2.743 -1.337) 3.055 4.086 ( -3.484 -3.469 -3.491) 6.030 4.086 ( -3.484 3.469 -3.491) 6.030 4.282 ( 3.393 -2.633 1.349) 4.501 4.282 ( 3.393 2.633 1.349) 4.501 4.579 ( -1.232 -2.753 -5.664) 6.417 4.579 ( -1.232 2.753 -5.664) 6.417 4.647 ( -1.485 -1.505 -1.506) 2.596 4.647 ( -1.485 1.505 -1.506) 2.596 4.734 ( -0.094 -1.165 0.383) 1.230 4.734 ( -0.094 1.165 0.383) 1.230 5.177 ( -2.455 -1.645 1.877) 3.501 5.177 ( -2.455 1.645 1.877) 3.501 5.186 ( 0.634 -2.659 2.565) 3.748 5.186 ( 0.634 2.659 2.565) 3.748 5.315 ( 1.289 -0.977 -2.621) 3.080 5.315 ( 1.289 0.977 -2.621) 3.080 5.524 ( 4.488 -2.089 2.398) 5.500 5.524 ( 4.488 2.089 2.398) 5.500 5.619 ( -1.347 -0.278 3.456) 3.720 5.619 ( -1.347 0.278 3.456) 3.720 5.873 ( -1.442 -1.756 1.295) 2.615 5.873 ( -1.442 1.756 1.295) 2.615 6.036 ( -0.933 -1.716 1.066) 2.225 6.036 ( -0.933 1.716 1.066) 2.225 6.146 ( 2.336 -2.053 2.573) 4.036 6.146 ( 2.336 2.053 2.573) 4.036 6.297 ( 1.293 -2.650 0.368) 2.972 6.297 ( 1.293 2.650 0.368) 2.972 6.433 ( -0.425 -1.628 -2.373) 2.909 6.433 ( -0.425 1.628 -2.373) 2.909 6.504 ( 3.761 -1.975 1.209) 4.417 6.504 ( 3.761 1.975 1.209) 4.417 6.639 ( -0.149 -3.855 0.589) 3.902 6.639 ( -0.149 3.855 0.589) 3.902 6.800 ( -5.594 -1.191 -0.154) 5.722 6.800 ( -5.594 1.191 -0.154) 5.722 7.004 ( 1.028 -0.424 1.093) 1.559 7.004 ( 1.028 0.424 1.093) 1.559 7.133 ( 0.479 -0.252 0.472) 0.718 7.133 ( 0.479 0.252 0.472) 0.718 7.481 ( -0.208 -1.726 -0.502) 1.810 7.481 ( -0.208 1.726 -0.502) 1.810 7.533 ( 2.684 -4.849 -4.267) 6.995 7.533 ( 2.684 4.849 -4.267) 6.995 8.171 ( -2.146 -1.809 1.483) 3.175 8.171 ( -2.146 1.809 1.483) 3.175 8.747 ( 5.270 -3.239 -7.236) 9.520 8.747 ( 5.270 3.239 -7.236) 9.520 10.227 ( -0.145 -0.671 0.714) 0.991 10.227 ( -0.145 0.671 0.714) 0.991 10.341 ( 0.763 -0.147 -0.548) 0.951 10.341 ( 0.763 0.147 -0.548) 0.951 10.413 ( 0.520 -1.888 0.446) 2.009 10.413 ( 0.520 1.888 0.446) 2.009 10.467 ( -4.395 -3.067 -1.170) 5.486 10.467 ( -4.395 3.067 -1.170) 5.486 11.513 ( 1.387 -1.335 -1.249) 2.295 11.513 ( 1.387 1.335 -1.249) 2.295 11.652 ( -1.292 -0.552 2.346) 2.734 11.652 ( -1.292 0.552 2.346) 2.734 12.335 ( 1.326 -1.787 -3.032) 3.761 12.335 ( 1.326 1.787 -3.032) 3.761 12.581 ( 1.292 -0.501 0.594) 1.508 12.581 ( 1.292 0.501 0.594) 1.508 ======================= Grid point 105 (55/75) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 2.560 0.000 19.235) 19.405 1.273 ( -2.790 0.000 20.060) 20.253 1.579 ( -2.380 0.000 -14.157) 14.356 1.594 ( 2.582 0.000 -13.085) 13.337 1.797 ( -2.569 0.000 0.734) 2.672 1.828 ( 0.924 0.000 -2.732) 2.884 2.062 ( -3.289 0.000 2.291) 4.008 2.080 ( 2.039 0.000 -0.685) 2.151 2.183 ( -0.548 0.000 8.469) 8.487 2.273 ( -3.092 0.000 -2.362) 3.891 2.329 ( -1.413 0.000 7.317) 7.452 2.351 ( 0.544 0.000 3.622) 3.662 2.409 ( -0.418 0.000 18.759) 18.764 2.476 ( -0.373 0.000 -2.113) 2.146 2.521 ( 0.518 0.000 -5.477) 5.502 2.612 ( -2.681 0.000 -0.396) 2.710 2.684 ( 3.570 0.000 -3.536) 5.025 2.762 ( -1.468 0.000 -4.628) 4.855 2.941 ( -2.683 0.000 3.421) 4.348 2.981 ( 5.846 0.000 2.332) 6.294 2.983 ( 2.525 0.000 -3.633) 4.424 2.988 ( -1.280 0.000 -7.104) 7.218 3.139 ( 0.393 0.000 -3.759) 3.780 3.172 ( 1.791 0.000 -6.050) 6.309 3.423 ( 2.438 0.000 4.799) 5.383 3.500 ( -1.329 0.000 -0.428) 1.396 3.536 ( 1.027 0.000 -1.686) 1.974 3.596 ( -1.959 0.000 -4.941) 5.315 3.713 ( -3.671 0.000 2.602) 4.500 3.732 ( 2.629 0.000 1.540) 3.047 3.788 ( 2.506 0.000 -0.335) 2.528 3.843 ( -3.396 0.000 -4.379) 5.542 3.966 ( 2.795 0.000 3.350) 4.363 3.995 ( -0.685 0.000 0.575) 0.895 4.280 ( 0.236 0.000 4.374) 4.380 4.345 ( -1.223 0.000 -2.621) 2.892 4.448 ( 2.288 0.000 -0.634) 2.374 4.476 ( -0.385 0.000 -3.259) 3.281 4.594 ( 2.077 0.000 -1.504) 2.564 4.600 ( -2.068 0.000 -2.045) 2.908 4.739 ( 0.578 0.000 1.328) 1.449 4.754 ( -1.581 0.000 0.160) 1.590 5.102 ( -2.333 0.000 3.463) 4.175 5.149 ( -0.409 0.000 0.674) 0.788 5.155 ( 0.499 0.000 -1.973) 2.035 5.171 ( -0.422 0.000 -1.204) 1.276 5.299 ( -1.816 0.000 0.444) 1.869 5.313 ( 2.449 0.000 -1.372) 2.807 5.590 ( 4.711 0.000 1.276) 4.880 5.599 ( -2.989 0.000 0.235) 2.998 5.757 ( -1.418 0.000 1.977) 2.433 5.760 ( 0.476 0.000 2.466) 2.511 5.874 ( 7.039 0.000 2.318) 7.411 5.902 ( -7.298 0.000 -0.892) 7.353 5.975 ( -0.043 0.000 1.293) 1.294 6.007 ( -0.458 0.000 -2.504) 2.546 6.142 ( 0.702 0.000 1.941) 2.064 6.183 ( -0.982 0.000 -2.384) 2.579 6.346 ( 2.200 0.000 2.335) 3.208 6.382 ( -3.772 0.000 -1.197) 3.957 6.469 ( -5.593 0.000 0.878) 5.662 6.487 ( 3.034 0.000 -1.347) 3.320 6.512 ( 5.768 0.000 1.199) 5.892 6.549 ( 5.280 0.000 -2.034) 5.658 6.644 ( 3.577 0.000 -0.109) 3.579 6.655 ( -6.041 0.000 -1.399) 6.201 6.750 ( -4.201 0.000 2.110) 4.701 6.790 ( 2.068 0.000 -1.858) 2.780 7.024 ( 0.610 0.000 2.597) 2.667 7.061 ( 0.698 0.000 -0.523) 0.872 7.212 ( 3.253 0.000 1.007) 3.405 7.255 ( -6.966 0.000 -2.956) 7.567 7.263 ( 1.506 0.000 2.448) 2.874 7.311 ( -0.633 0.000 -2.576) 2.653 7.435 ( -1.805 0.000 0.913) 2.023 7.463 ( 2.489 0.000 -2.063) 3.233 8.273 ( 1.190 0.000 3.853) 4.033 8.354 ( -1.400 0.000 -4.730) 4.933 8.505 ( -2.666 0.000 1.876) 3.260 8.542 ( 1.811 0.000 -2.005) 2.702 10.238 ( -1.091 0.000 0.359) 1.148 10.244 ( 0.883 0.000 -0.316) 0.937 10.300 ( 3.399 0.000 2.234) 4.067 10.348 ( -5.447 0.000 -2.600) 6.036 10.367 ( 1.306 0.000 1.225) 1.790 10.389 ( -1.049 0.000 -0.992) 1.444 10.440 ( -0.379 0.000 0.243) 0.450 10.440 ( -0.076 0.000 0.194) 0.208 11.466 ( 0.252 0.000 0.945) 0.978 11.503 ( -0.013 0.000 -2.944) 2.944 11.736 ( -0.274 0.000 2.947) 2.960 11.784 ( 2.887 0.000 -2.163) 3.607 12.211 ( -0.221 0.000 1.966) 1.978 12.254 ( 0.421 0.000 -2.720) 2.752 12.628 ( -0.474 0.000 0.789) 0.920 12.643 ( 0.311 0.000 -0.739) 0.801 ======================= Grid point 106 (56/75) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 2.914 0.000 13.117) 13.436 1.413 ( 5.410 0.000 15.509) 16.426 1.545 ( 4.791 0.000 -10.223) 11.290 1.606 ( 4.273 0.000 -12.951) 13.637 1.785 ( 0.463 0.000 2.359) 2.404 1.881 ( 4.404 0.000 -0.082) 4.405 2.010 ( -2.429 0.000 0.355) 2.455 2.104 ( 0.219 0.000 0.148) 0.265 2.186 ( -3.242 0.000 6.578) 7.333 2.205 ( -2.580 0.000 0.021) 2.580 2.299 ( -3.221 0.000 3.998) 5.134 2.333 ( -3.559 0.000 4.949) 6.096 2.465 ( -0.228 0.000 -2.439) 2.449 2.471 ( -3.420 0.000 0.653) 3.482 2.535 ( -5.047 0.000 1.887) 5.389 2.546 ( 6.395 0.000 17.562) 18.690 2.716 ( 0.797 0.000 -3.370) 3.463 2.750 ( 2.996 0.000 -7.425) 8.007 2.824 ( -8.279 0.000 1.876) 8.489 2.982 ( -0.174 0.000 -2.509) 2.515 2.988 ( 0.889 0.000 -4.577) 4.662 3.110 ( 1.332 0.000 -4.528) 4.719 3.131 ( 4.456 0.000 -0.884) 4.543 3.179 ( 1.928 0.000 -9.038) 9.242 3.422 ( -4.820 0.000 -0.998) 4.922 3.456 ( -1.499 0.000 3.493) 3.801 3.485 ( -4.729 0.000 -2.495) 5.347 3.500 ( -3.880 0.000 -3.158) 5.003 3.732 ( 2.465 0.000 1.997) 3.172 3.758 ( -2.162 0.000 5.436) 5.850 3.778 ( -1.834 0.000 -0.295) 1.858 3.880 ( 5.945 0.000 -3.017) 6.666 3.946 ( -2.644 0.000 -2.152) 3.409 3.982 ( -1.580 0.000 0.002) 1.580 4.308 ( -2.201 0.000 -1.738) 2.805 4.309 ( 0.568 0.000 4.021) 4.061 4.458 ( -0.168 0.000 -3.222) 3.226 4.514 ( 4.849 0.000 -1.630) 5.116 4.577 ( 0.270 0.000 -1.595) 1.617 4.649 ( 3.665 0.000 -0.569) 3.709 4.740 ( 0.035 0.000 0.632) 0.633 4.773 ( 2.360 0.000 2.246) 3.258 5.085 ( -0.868 0.000 4.413) 4.498 5.131 ( -0.714 0.000 -0.007) 0.714 5.161 ( -0.329 0.000 -0.637) 0.717 5.183 ( 1.575 0.000 0.996) 1.863 5.282 ( -0.588 0.000 0.617) 0.852 5.370 ( 3.582 0.000 -1.407) 3.849 5.536 ( -1.931 0.000 -2.407) 3.085 5.638 ( -2.202 0.000 -0.666) 2.301 5.693 ( -5.187 0.000 0.056) 5.187 5.751 ( -0.610 0.000 2.661) 2.730 5.858 ( 2.364 0.000 0.736) 2.476 5.959 ( -1.024 0.000 0.384) 1.094 5.980 ( -1.226 0.000 -2.250) 2.562 6.004 ( 4.015 0.000 3.536) 5.350 6.144 ( -1.419 0.000 2.095) 2.530 6.148 ( -1.642 0.000 -1.376) 2.142 6.295 ( -3.602 0.000 -2.189) 4.215 6.323 ( -7.495 0.000 -0.415) 7.506 6.324 ( -4.042 0.000 2.537) 4.772 6.432 ( -5.574 0.000 -0.699) 5.618 6.575 ( 1.356 0.000 -1.639) 2.127 6.591 ( 3.220 0.000 -2.645) 4.167 6.628 ( -1.452 0.000 -1.755) 2.277 6.692 ( -3.770 0.000 3.006) 4.821 6.775 ( 8.145 0.000 2.278) 8.458 6.833 ( 0.386 0.000 1.192) 1.253 7.035 ( -2.123 0.000 -2.023) 2.933 7.054 ( 2.335 0.000 1.444) 2.745 7.167 ( 0.374 0.000 -3.843) 3.861 7.251 ( -0.584 0.000 3.552) 3.600 7.286 ( -0.769 0.000 -2.083) 2.221 7.308 ( 0.714 0.000 1.673) 1.819 7.431 ( 1.257 0.000 1.528) 1.979 7.518 ( 3.262 0.000 -2.773) 4.282 8.275 ( -2.970 0.000 4.847) 5.685 8.313 ( -0.383 0.000 -3.993) 4.011 8.480 ( -0.238 0.000 1.634) 1.652 8.549 ( -0.570 0.000 -1.248) 1.372 10.228 ( -0.061 0.000 0.536) 0.540 10.264 ( 0.982 0.000 -0.177) 0.998 10.288 ( -0.526 0.000 -1.517) 1.606 10.351 ( -0.842 0.000 0.025) 0.842 10.392 ( 1.450 0.000 2.542) 2.926 10.399 ( 1.697 0.000 0.651) 1.818 10.432 ( 1.006 0.000 1.373) 1.702 10.437 ( -0.251 0.000 0.684) 0.728 11.474 ( 0.095 0.000 0.997) 1.001 11.493 ( 0.240 0.000 -2.817) 2.827 11.739 ( -0.170 0.000 0.746) 0.765 11.812 ( 1.416 0.000 -4.754) 4.960 12.213 ( -0.357 0.000 1.903) 1.936 12.251 ( 0.292 0.000 -2.708) 2.724 12.612 ( -1.426 0.000 0.701) 1.589 12.628 ( -1.540 0.000 -0.095) 1.543 ======================= Grid point 107 (57/75) ======================= q-point: ( 0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 7.624 0.000 -0.647) 7.651 1.554 ( 3.632 0.000 11.207) 11.781 1.675 ( 9.316 0.000 -0.607) 9.336 1.676 ( 7.897 0.000 -9.930) 12.688 1.817 ( 0.861 0.000 4.772) 4.849 1.945 ( 1.087 0.000 0.659) 1.271 1.985 ( 0.258 0.000 0.507) 0.568 2.077 ( -2.553 0.000 0.320) 2.573 2.146 ( -1.497 0.000 2.774) 3.153 2.186 ( -0.359 0.000 1.264) 1.314 2.242 ( -4.775 0.000 5.641) 7.391 2.302 ( -0.625 0.000 -0.572) 0.847 2.382 ( -5.330 0.000 -0.879) 5.402 2.450 ( -2.195 0.000 2.814) 3.569 2.479 ( 1.107 0.000 3.112) 3.303 2.657 ( -9.859 0.000 1.341) 9.950 2.682 ( -2.406 0.000 -4.997) 5.546 2.766 ( 8.559 0.000 14.630) 16.950 2.812 ( 5.011 0.000 -6.162) 7.942 2.955 ( -1.918 0.000 -2.615) 3.243 2.958 ( -2.795 0.000 2.088) 3.489 3.059 ( -2.626 0.000 -4.849) 5.515 3.186 ( 3.305 0.000 -11.998) 12.445 3.206 ( 2.455 0.000 -3.511) 4.284 3.357 ( -3.334 0.000 -1.495) 3.654 3.387 ( -2.360 0.000 -1.625) 2.866 3.396 ( -4.338 0.000 2.133) 4.834 3.459 ( -1.284 0.000 -0.509) 1.382 3.692 ( -5.072 0.000 1.581) 5.313 3.715 ( -3.215 0.000 1.795) 3.682 3.826 ( 4.551 0.000 1.829) 4.904 3.882 ( -2.175 0.000 0.675) 2.277 3.931 ( -2.802 0.000 -1.577) 3.215 3.989 ( 4.981 0.000 -3.835) 6.286 4.233 ( -4.865 0.000 0.223) 4.870 4.313 ( -1.358 0.000 0.563) 1.470 4.458 ( 1.143 0.000 -1.382) 1.793 4.590 ( 1.406 0.000 -1.242) 1.876 4.597 ( 3.873 0.000 -1.547) 4.170 4.677 ( -0.710 0.000 -2.339) 2.444 4.784 ( 3.921 0.000 1.810) 4.319 4.836 ( 2.827 0.000 2.400) 3.708 5.098 ( 0.078 0.000 4.722) 4.723 5.127 ( 0.379 0.000 -0.130) 0.400 5.153 ( -0.265 0.000 -0.197) 0.330 5.215 ( 1.224 0.000 2.097) 2.428 5.275 ( -0.262 0.000 0.864) 0.903 5.372 ( -5.124 0.000 -2.912) 5.893 5.535 ( 2.806 0.000 -3.964) 4.856 5.538 ( 0.014 0.000 -1.669) 1.669 5.688 ( 0.373 0.000 -0.967) 1.036 5.727 ( -3.442 0.000 3.121) 4.646 5.886 ( -0.371 0.000 1.485) 1.531 5.930 ( -1.533 0.000 -0.952) 1.804 5.974 ( 2.039 0.000 -1.933) 2.810 6.053 ( -0.123 0.000 2.972) 2.974 6.114 ( -1.929 0.000 0.130) 1.933 6.121 ( -1.369 0.000 2.340) 2.711 6.225 ( -1.980 0.000 -1.451) 2.455 6.248 ( -4.606 0.000 3.336) 5.687 6.256 ( 0.487 0.000 -3.192) 3.229 6.354 ( -3.147 0.000 1.923) 3.688 6.526 ( -4.572 0.000 0.818) 4.644 6.600 ( -3.818 0.000 1.292) 4.030 6.627 ( 1.271 0.000 -1.702) 2.124 6.652 ( 1.275 0.000 -1.695) 2.121 6.848 ( 1.618 0.000 2.253) 2.774 6.923 ( 6.178 0.000 1.938) 6.475 6.984 ( -2.259 0.000 -1.399) 2.657 7.094 ( 1.220 0.000 1.327) 1.803 7.171 ( -0.014 0.000 -5.265) 5.265 7.226 ( -2.716 0.000 1.675) 3.191 7.281 ( 1.060 0.000 -1.659) 1.969 7.302 ( -1.342 0.000 2.144) 2.530 7.459 ( 0.196 0.000 2.250) 2.258 7.548 ( 0.997 0.000 -3.455) 3.596 8.241 ( -1.446 0.000 5.099) 5.300 8.321 ( 2.228 0.000 -2.042) 3.022 8.490 ( 0.407 0.000 0.056) 0.411 8.515 ( -2.290 0.000 -0.882) 2.454 10.235 ( 0.318 0.000 0.737) 0.803 10.277 ( -0.680 0.000 0.850) 1.088 10.285 ( 1.412 0.000 -2.501) 2.872 10.330 ( -0.958 0.000 -0.319) 1.010 10.379 ( -1.735 0.000 1.480) 2.281 10.412 ( -0.249 0.000 -0.988) 1.019 10.469 ( 3.210 0.000 1.091) 3.390 10.499 ( 2.266 0.000 4.820) 5.326 11.475 ( -0.222 0.000 0.553) 0.596 11.491 ( 0.615 0.000 -2.767) 2.835 11.738 ( 0.060 0.000 -0.351) 0.356 11.808 ( 0.228 0.000 -4.912) 4.917 12.211 ( -0.551 0.000 1.879) 1.958 12.246 ( 0.274 0.000 -2.568) 2.582 12.587 ( -1.241 0.000 0.370) 1.295 12.594 ( -1.924 0.000 0.732) 2.059 ======================= Grid point 108 (58/75) ======================= q-point: ( 0.43 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 6.839 0.000 -3.045) 7.487 1.620 ( -1.058 0.000 6.630) 6.714 1.792 ( -1.536 0.000 11.235) 11.340 1.798 ( 5.463 0.000 -3.001) 6.233 1.867 ( 5.659 0.000 -3.758) 6.793 1.909 ( -3.795 0.000 1.575) 4.109 2.014 ( 1.307 0.000 -1.379) 1.900 2.060 ( 2.237 0.000 -2.789) 3.575 2.162 ( 0.211 0.000 8.217) 8.220 2.194 ( 1.794 0.000 -0.606) 1.894 2.199 ( 0.959 0.000 1.280) 1.600 2.275 ( -1.565 0.000 -4.004) 4.299 2.296 ( -1.610 0.000 -3.855) 4.177 2.413 ( -6.954 0.000 -2.010) 7.238 2.490 ( -0.900 0.000 2.768) 2.911 2.601 ( -3.831 0.000 -3.871) 5.446 2.608 ( 6.457 0.000 8.765) 10.887 2.841 ( 0.940 0.000 -2.610) 2.774 2.872 ( -4.049 0.000 -1.987) 4.510 2.889 ( -1.029 0.000 -1.886) 2.148 2.969 ( 2.357 0.000 5.697) 6.166 3.052 ( 1.928 0.000 2.795) 3.396 3.174 ( -6.624 0.000 0.438) 6.639 3.201 ( 1.007 0.000 -6.998) 7.070 3.280 ( 0.315 0.000 -3.862) 3.875 3.307 ( -5.893 0.000 2.951) 6.591 3.401 ( 2.610 0.000 -1.077) 2.823 3.440 ( -0.170 0.000 -2.341) 2.347 3.631 ( -0.468 0.000 -1.137) 1.230 3.664 ( -2.015 0.000 -1.117) 2.304 3.850 ( -1.520 0.000 1.001) 1.820 3.864 ( -0.875 0.000 -1.501) 1.738 3.941 ( 3.310 0.000 5.448) 6.375 4.049 ( 2.641 0.000 -3.774) 4.607 4.169 ( -1.396 0.000 1.563) 2.096 4.259 ( -3.575 0.000 -2.264) 4.232 4.491 ( 2.579 0.000 0.659) 2.662 4.607 ( -3.284 0.000 -1.122) 3.470 4.616 ( 1.532 0.000 -0.680) 1.676 4.652 ( 0.616 0.000 -4.144) 4.190 4.855 ( 2.194 0.000 1.804) 2.840 4.879 ( 0.643 0.000 1.519) 1.649 5.108 ( -0.545 0.000 3.478) 3.520 5.146 ( 1.718 0.000 -1.096) 2.037 5.159 ( 0.689 0.000 0.771) 1.034 5.237 ( -1.708 0.000 -1.341) 2.171 5.258 ( -1.231 0.000 -0.512) 1.333 5.279 ( 0.166 0.000 0.434) 0.464 5.583 ( 1.924 0.000 -1.780) 2.622 5.587 ( 3.114 0.000 -1.216) 3.343 5.658 ( -3.450 0.000 2.207) 4.096 5.665 ( -2.115 0.000 -0.691) 2.225 5.870 ( -1.470 0.000 1.950) 2.442 5.907 ( -0.125 0.000 -1.991) 1.995 6.035 ( 3.970 0.000 0.237) 3.977 6.050 ( -0.553 0.000 1.856) 1.937 6.087 ( 0.266 0.000 -1.777) 1.796 6.089 ( -3.675 0.000 3.137) 4.831 6.194 ( -2.082 0.000 3.261) 3.868 6.223 ( 1.451 0.000 -1.897) 2.388 6.284 ( 3.500 0.000 -2.809) 4.488 6.300 ( -4.027 0.000 2.316) 4.646 6.479 ( 0.213 0.000 0.755) 0.784 6.520 ( -4.105 0.000 0.994) 4.224 6.638 ( -0.085 0.000 0.609) 0.615 6.673 ( 1.034 0.000 -2.550) 2.752 6.895 ( 2.068 0.000 1.492) 2.550 6.942 ( -1.626 0.000 -0.586) 1.728 7.017 ( 2.740 0.000 2.048) 3.421 7.115 ( -2.121 0.000 1.299) 2.487 7.132 ( 1.119 0.000 -3.996) 4.150 7.174 ( -2.978 0.000 0.654) 3.049 7.288 ( -0.773 0.000 2.459) 2.577 7.305 ( 2.084 0.000 -1.613) 2.635 7.461 ( -0.291 0.000 1.926) 1.948 7.533 ( -0.973 0.000 -3.414) 3.550 8.266 ( 1.793 0.000 4.147) 4.518 8.359 ( 1.765 0.000 -2.115) 2.754 8.469 ( -1.773 0.000 -0.216) 1.786 8.492 ( 0.228 0.000 -1.592) 1.608 10.241 ( 0.061 0.000 0.926) 0.928 10.260 ( -0.891 0.000 0.426) 0.988 10.304 ( 1.212 0.000 -1.577) 1.989 10.312 ( -0.908 0.000 -0.037) 0.909 10.363 ( -0.399 0.000 1.586) 1.635 10.401 ( -0.375 0.000 -1.384) 1.434 10.531 ( -0.576 0.000 4.102) 4.142 10.540 ( 3.809 0.000 -0.476) 3.839 11.471 ( -0.318 0.000 0.315) 0.447 11.493 ( 0.485 0.000 -2.601) 2.646 11.738 ( -0.169 0.000 0.397) 0.431 11.787 ( -0.663 0.000 -3.647) 3.706 12.207 ( -0.624 0.000 1.872) 1.973 12.244 ( 0.523 0.000 -2.438) 2.494 12.569 ( -0.993 0.000 1.018) 1.422 12.573 ( -0.248 0.000 0.044) 0.252 ======================= Grid point 109 (59/75) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -10.912 0.000 6.249) 12.575 1.613 ( -7.993 0.000 8.827) 11.908 1.784 ( -0.864 0.000 -0.484) 0.991 1.790 ( -5.327 0.000 2.850) 6.042 1.906 ( 2.753 0.000 -0.004) 2.753 1.931 ( 2.828 0.000 -2.891) 4.044 2.053 ( 3.981 0.000 -2.675) 4.796 2.110 ( 1.769 0.000 -10.219) 10.371 2.178 ( -0.035 0.000 0.223) 0.226 2.191 ( -6.984 0.000 1.222) 7.091 2.247 ( 2.395 0.000 0.769) 2.516 2.269 ( 5.691 0.000 -0.406) 5.705 2.309 ( 4.375 0.000 -7.238) 8.457 2.354 ( 6.443 0.000 4.106) 7.640 2.527 ( -2.602 0.000 -1.709) 3.113 2.534 ( 2.138 0.000 2.984) 3.670 2.765 ( -4.395 0.000 -7.561) 8.746 2.772 ( 6.524 0.000 6.800) 9.424 2.826 ( -7.295 0.000 0.110) 7.296 2.884 ( 3.193 0.000 -0.717) 3.272 2.981 ( -6.810 0.000 10.902) 12.854 3.060 ( 5.150 0.000 5.664) 7.656 3.086 ( -1.710 0.000 -5.192) 5.466 3.145 ( -4.791 0.000 0.097) 4.792 3.217 ( -3.975 0.000 2.563) 4.729 3.351 ( 6.179 0.000 0.960) 6.253 3.432 ( 0.226 0.000 -3.648) 3.655 3.451 ( 2.559 0.000 -4.265) 4.974 3.651 ( 2.115 0.000 -2.577) 3.333 3.666 ( 3.833 0.000 -1.200) 4.016 3.835 ( -0.413 0.000 1.361) 1.422 3.871 ( 1.639 0.000 -0.766) 1.809 3.981 ( -1.222 0.000 3.663) 3.862 4.041 ( -2.266 0.000 -5.238) 5.707 4.204 ( -0.055 0.000 -2.224) 2.225 4.206 ( 3.895 0.000 3.077) 4.964 4.524 ( -3.955 0.000 -2.108) 4.481 4.558 ( 3.650 0.000 2.394) 4.365 4.629 ( -0.288 0.000 -0.530) 0.603 4.635 ( -0.832 0.000 -3.402) 3.502 4.870 ( -1.926 0.000 0.433) 1.974 4.875 ( -0.637 0.000 1.812) 1.921 5.119 ( 0.618 0.000 2.006) 2.099 5.173 ( 1.642 0.000 -3.238) 3.631 5.188 ( 2.814 0.000 1.732) 3.305 5.194 ( -0.332 0.000 -3.125) 3.143 5.273 ( -1.085 0.000 0.059) 1.087 5.276 ( 0.718 0.000 1.003) 1.234 5.543 ( -4.135 0.000 2.994) 5.105 5.546 ( -5.825 0.000 1.707) 6.070 5.663 ( 1.439 0.000 -0.763) 1.629 5.688 ( 3.159 0.000 0.232) 3.168 5.871 ( 1.615 0.000 0.577) 1.715 5.908 ( 0.561 0.000 -1.404) 1.512 6.003 ( -5.289 0.000 3.308) 6.239 6.072 ( 1.714 0.000 0.234) 1.730 6.076 ( 1.264 0.000 -0.653) 1.423 6.133 ( 3.312 0.000 -1.572) 3.666 6.182 ( -0.571 0.000 2.162) 2.237 6.228 ( -3.848 0.000 2.700) 4.700 6.252 ( 2.798 0.000 -2.694) 3.885 6.352 ( 4.132 0.000 -2.753) 4.965 6.475 ( -0.405 0.000 0.745) 0.848 6.539 ( 5.437 0.000 -0.779) 5.493 6.625 ( -1.745 0.000 2.546) 3.087 6.659 ( -1.864 0.000 -1.448) 2.360 6.913 ( -1.404 0.000 -0.646) 1.546 6.931 ( 1.433 0.000 0.870) 1.676 7.041 ( -4.449 0.000 -0.134) 4.451 7.043 ( -1.039 0.000 4.418) 4.539 7.140 ( -0.207 0.000 -0.513) 0.553 7.180 ( 3.220 0.000 -0.722) 3.300 7.287 ( -0.372 0.000 0.728) 0.817 7.342 ( 2.364 0.000 -3.104) 3.902 7.471 ( 0.241 0.000 2.958) 2.968 7.504 ( -0.347 0.000 -2.495) 2.519 8.309 ( 0.485 0.000 2.956) 2.995 8.353 ( -0.360 0.000 -4.741) 4.755 8.468 ( 1.124 0.000 0.779) 1.368 8.495 ( 1.212 0.000 -2.729) 2.986 10.243 ( -0.442 0.000 1.706) 1.762 10.251 ( -0.204 0.000 0.029) 0.206 10.298 ( -0.355 0.000 -0.506) 0.618 10.317 ( 0.508 0.000 -0.518) 0.725 10.372 ( 0.559 0.000 1.646) 1.738 10.393 ( 0.305 0.000 -1.656) 1.684 10.515 ( -2.079 0.000 2.144) 2.986 10.599 ( 2.786 0.000 -2.889) 4.014 11.466 ( -0.394 0.000 0.450) 0.598 11.489 ( 0.131 0.000 -1.834) 1.839 11.734 ( -0.706 0.000 1.968) 2.091 11.757 ( -1.397 0.000 -1.754) 2.242 12.203 ( -0.480 0.000 1.913) 1.972 12.247 ( 0.787 0.000 -2.465) 2.587 12.567 ( 0.406 0.000 0.818) 0.913 12.579 ( 0.812 0.000 -0.107) 0.819 ======================= Grid point 110 (60/75) ======================= q-point: (-0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -11.607 0.000 11.197) 16.128 1.454 ( -11.737 0.000 13.771) 18.094 1.690 ( -5.268 0.000 0.138) 5.270 1.745 ( -0.858 0.000 -8.459) 8.503 1.921 ( -0.719 0.000 -6.094) 6.136 1.950 ( -1.759 0.000 0.268) 1.779 2.048 ( -2.523 0.000 -4.291) 4.978 2.092 ( 1.279 0.000 -2.971) 3.235 2.143 ( 2.683 0.000 0.844) 2.813 2.184 ( 0.818 0.000 1.396) 1.618 2.316 ( 4.164 0.000 -1.436) 4.404 2.371 ( 4.638 0.000 -7.527) 8.841 2.439 ( 8.643 0.000 -5.333) 10.156 2.452 ( -3.000 0.000 11.124) 11.521 2.505 ( 2.007 0.000 -1.137) 2.307 2.577 ( 0.548 0.000 5.998) 6.023 2.584 ( -11.726 0.000 8.089) 14.245 2.739 ( 2.804 0.000 -3.716) 4.656 2.872 ( -0.134 0.000 3.750) 3.752 2.913 ( 0.547 0.000 2.871) 2.923 3.015 ( 4.685 0.000 2.661) 5.388 3.034 ( -1.691 0.000 -4.111) 4.445 3.035 ( -1.799 0.000 -3.494) 3.930 3.153 ( -0.593 0.000 0.842) 1.030 3.284 ( 10.407 0.000 4.730) 11.432 3.409 ( -1.472 0.000 -2.394) 2.810 3.450 ( 0.607 0.000 -1.198) 1.343 3.471 ( 4.730 0.000 -3.335) 5.788 3.729 ( 6.287 0.000 -0.946) 6.358 3.733 ( 2.785 0.000 0.359) 2.808 3.831 ( -1.733 0.000 1.849) 2.534 3.886 ( -1.279 0.000 0.739) 1.477 3.949 ( -1.800 0.000 -0.419) 1.848 3.964 ( -1.620 0.000 -5.838) 6.058 4.231 ( 2.364 0.000 0.097) 2.366 4.299 ( 4.089 0.000 1.876) 4.499 4.458 ( -2.274 0.000 -0.898) 2.445 4.585 ( -3.065 0.000 -0.705) 3.145 4.605 ( -0.823 0.000 -3.390) 3.489 4.636 ( 2.320 0.000 1.897) 2.997 4.812 ( -3.875 0.000 -0.888) 3.975 4.850 ( -2.527 0.000 1.153) 2.778 5.131 ( 0.358 0.000 -0.400) 0.537 5.169 ( -0.756 0.000 -2.244) 2.368 5.190 ( 0.969 0.000 -4.867) 4.963 5.237 ( -2.254 0.000 0.268) 2.270 5.289 ( 0.595 0.000 -0.412) 0.724 5.309 ( 7.000 0.000 3.843) 7.986 5.459 ( -3.152 0.000 3.944) 5.049 5.496 ( -0.587 0.000 2.631) 2.696 5.669 ( -0.693 0.000 0.743) 1.016 5.731 ( 0.674 0.000 3.200) 3.270 5.905 ( -1.285 0.000 -0.043) 1.286 5.930 ( -2.398 0.000 2.392) 3.387 5.933 ( 4.448 0.000 -2.149) 4.940 6.096 ( 0.714 0.000 -1.466) 1.630 6.099 ( 0.137 0.000 2.104) 2.108 6.158 ( 0.610 0.000 -1.469) 1.591 6.189 ( -0.675 0.000 3.151) 3.222 6.221 ( 4.516 0.000 -0.718) 4.573 6.310 ( 3.875 0.000 -2.764) 4.760 6.399 ( 2.294 0.000 -2.957) 3.743 6.518 ( 3.734 0.000 1.407) 3.990 6.583 ( -2.282 0.000 2.341) 3.269 6.603 ( -3.475 0.000 0.910) 3.592 6.664 ( 6.268 0.000 -1.972) 6.571 6.881 ( -1.329 0.000 -1.432) 1.953 6.945 ( -5.808 0.000 -0.237) 5.812 6.962 ( 1.499 0.000 1.066) 1.840 7.033 ( -1.933 0.000 5.430) 5.764 7.149 ( 0.980 0.000 -0.530) 1.114 7.238 ( 3.228 0.000 -0.397) 3.252 7.272 ( -1.226 0.000 -0.453) 1.307 7.356 ( 0.407 0.000 -3.320) 3.345 7.482 ( -0.632 0.000 3.389) 3.447 7.510 ( 1.495 0.000 -2.987) 3.341 8.292 ( -2.756 0.000 1.307) 3.050 8.345 ( 2.005 0.000 -5.766) 6.105 8.493 ( 1.173 0.000 -0.334) 1.220 8.519 ( 1.840 0.000 -1.660) 2.478 10.238 ( -0.699 0.000 2.122) 2.234 10.247 ( -0.217 0.000 -0.563) 0.603 10.292 ( -0.324 0.000 -0.603) 0.685 10.323 ( 0.403 0.000 0.351) 0.535 10.391 ( 0.713 0.000 1.279) 1.464 10.404 ( 1.321 0.000 -1.188) 1.777 10.478 ( -2.010 0.000 0.268) 2.028 10.602 ( -1.354 0.000 -6.081) 6.230 11.461 ( -0.300 0.000 0.562) 0.638 11.491 ( 0.835 0.000 -0.985) 1.292 11.728 ( -1.087 0.000 0.430) 1.169 11.728 ( -0.863 0.000 3.488) 3.593 12.203 ( -0.275 0.000 1.992) 2.011 12.253 ( 0.759 0.000 -2.587) 2.697 12.589 ( 1.612 0.000 0.302) 1.640 12.600 ( 1.309 0.000 0.056) 1.311 ======================= Grid point 111 (61/75) ======================= q-point: (-0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -5.245 0.000 17.306) 18.083 1.312 ( -8.660 0.000 17.193) 19.251 1.613 ( -1.140 0.000 -6.604) 6.702 1.683 ( -2.126 0.000 -12.301) 12.484 1.861 ( -1.990 0.000 -6.434) 6.735 1.873 ( -5.258 0.000 0.724) 5.307 2.041 ( 2.353 0.000 -3.133) 3.919 2.094 ( -0.576 0.000 0.710) 0.914 2.193 ( -1.882 0.000 3.644) 4.102 2.236 ( 5.407 0.000 1.999) 5.764 2.331 ( -4.229 0.000 12.093) 12.812 2.377 ( -1.200 0.000 -6.154) 6.270 2.391 ( -4.541 0.000 16.842) 17.444 2.490 ( 3.732 0.000 -5.482) 6.631 2.499 ( -0.580 0.000 -1.756) 1.849 2.616 ( 5.210 0.000 -4.326) 6.772 2.617 ( 1.695 0.000 2.353) 2.900 2.821 ( -3.365 0.000 -0.981) 3.505 2.838 ( 6.947 0.000 0.691) 6.981 2.932 ( 0.919 0.000 -0.281) 0.962 2.994 ( -1.028 0.000 -2.732) 2.919 3.039 ( -0.193 0.000 0.408) 0.451 3.111 ( 3.940 0.000 -1.164) 4.108 3.157 ( 1.509 0.000 -3.487) 3.799 3.379 ( -0.270 0.000 1.552) 1.576 3.461 ( 2.071 0.000 0.339) 2.099 3.502 ( 10.783 0.000 -2.016) 10.969 3.527 ( 1.929 0.000 -3.391) 3.902 3.750 ( -2.564 0.000 1.060) 2.774 3.783 ( -1.264 0.000 -0.314) 1.303 3.813 ( -6.411 0.000 3.907) 7.508 3.855 ( 6.363 0.000 -0.700) 6.401 3.920 ( -1.344 0.000 -2.655) 2.976 3.968 ( 2.236 0.000 -0.326) 2.260 4.267 ( 0.503 0.000 2.488) 2.538 4.355 ( 1.473 0.000 -1.191) 1.894 4.432 ( -0.266 0.000 -0.266) 0.376 4.515 ( -2.983 0.000 -1.999) 3.591 4.584 ( -0.031 0.000 -2.670) 2.670 4.651 ( -1.602 0.000 -0.391) 1.649 4.745 ( -1.903 0.000 -0.292) 1.925 4.797 ( -2.894 0.000 0.174) 2.899 5.129 ( -0.849 0.000 0.476) 0.974 5.147 ( -0.460 0.000 -1.192) 1.278 5.178 ( -0.498 0.000 -3.664) 3.698 5.194 ( -1.959 0.000 0.161) 1.966 5.292 ( 0.347 0.000 -0.660) 0.746 5.346 ( -2.782 0.000 1.244) 3.048 5.486 ( 4.143 0.000 2.888) 5.050 5.609 ( 4.507 0.000 2.162) 4.999 5.677 ( 5.086 0.000 1.581) 5.326 5.746 ( -0.206 0.000 3.538) 3.544 5.848 ( -3.986 0.000 1.703) 4.335 5.948 ( 2.132 0.000 1.542) 2.631 5.984 ( 1.101 0.000 -2.565) 2.791 6.053 ( -4.241 0.000 -1.734) 4.582 6.115 ( 0.975 0.000 1.983) 2.210 6.184 ( 2.032 0.000 -2.091) 2.915 6.234 ( 5.001 0.000 3.932) 6.362 6.340 ( 8.110 0.000 -1.641) 8.274 6.378 ( 4.984 0.000 -2.277) 5.480 6.425 ( 0.895 0.000 -0.578) 1.065 6.539 ( -3.160 0.000 2.048) 3.766 6.544 ( -2.506 0.000 2.402) 3.472 6.597 ( 2.770 0.000 1.437) 3.120 6.752 ( 3.226 0.000 -2.960) 4.378 6.815 ( -7.348 0.000 -1.894) 7.588 6.841 ( -3.962 0.000 0.217) 3.968 6.996 ( 1.413 0.000 1.888) 2.358 7.022 ( 0.521 0.000 3.342) 3.382 7.171 ( 1.865 0.000 -2.328) 2.983 7.249 ( -0.877 0.000 1.525) 1.759 7.296 ( 2.686 0.000 -1.396) 3.027 7.342 ( -0.826 0.000 -2.006) 2.169 7.468 ( -1.928 0.000 2.433) 3.104 7.493 ( -2.405 0.000 -4.871) 5.432 8.251 ( -1.236 0.000 2.584) 2.865 8.371 ( 1.903 0.000 -5.316) 5.646 8.512 ( 1.588 0.000 -1.753) 2.365 8.534 ( -0.299 0.000 0.065) 0.306 10.240 ( -0.167 0.000 -0.641) 0.662 10.242 ( 0.512 0.000 1.651) 1.728 10.274 ( -1.196 0.000 0.127) 1.202 10.340 ( 1.089 0.000 0.832) 1.370 10.403 ( 0.036 0.000 0.154) 0.158 10.426 ( 1.195 0.000 -0.642) 1.356 10.450 ( -0.809 0.000 -0.372) 0.891 10.495 ( -6.928 0.000 -5.613) 8.917 11.460 ( -0.007 0.000 0.682) 0.682 11.507 ( 0.932 0.000 -2.315) 2.496 11.730 ( -0.512 0.000 4.072) 4.104 11.735 ( 1.718 0.000 1.196) 2.093 12.207 ( -0.181 0.000 2.023) 2.031 12.256 ( 0.549 0.000 -2.679) 2.735 12.622 ( 0.804 0.000 0.477) 0.935 12.623 ( 1.806 0.000 -0.406) 1.851 ======================= Grid point 112 (62/75) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -3.410 5.156 16.785) 17.887 1.423 ( -1.726 7.943 14.227) 16.385 1.576 ( 2.267 3.112 -10.103) 10.811 1.653 ( 1.793 1.026 -3.346) 3.933 1.757 ( -2.385 -3.846 -0.495) 4.553 1.810 ( 0.032 1.265 -3.959) 4.156 1.987 ( -0.343 -7.628 3.194) 8.277 2.037 ( 0.606 -3.907 -1.556) 4.248 2.134 ( -1.030 -2.994 1.492) 3.500 2.225 ( -1.743 -5.372 -3.893) 6.860 2.341 ( -0.294 2.258 6.834) 7.203 2.349 ( -2.935 0.732 1.082) 3.212 2.487 ( -1.056 3.180 5.746) 6.652 2.508 ( 0.256 6.097 10.354) 12.019 2.566 ( -0.880 3.236 -3.791) 5.061 2.648 ( -0.608 2.387 -0.643) 2.546 2.676 ( 0.877 -1.277 -0.413) 1.603 2.759 ( 1.019 -1.250 -2.659) 3.110 2.882 ( 0.384 -2.723 -0.331) 2.770 2.898 ( 3.187 -2.423 -4.375) 5.931 3.029 ( 3.353 2.378 0.084) 4.111 3.083 ( -0.932 -0.147 -4.435) 4.534 3.107 ( -3.615 0.107 0.973) 3.745 3.173 ( 3.641 -0.433 -4.605) 5.887 3.390 ( 3.175 -1.099 5.835) 6.734 3.481 ( -0.493 -1.577 -1.507) 2.236 3.523 ( -0.436 -1.137 0.228) 1.239 3.589 ( -0.398 -0.911 -4.528) 4.636 3.636 ( -1.055 -2.259 3.351) 4.177 3.694 ( 2.180 -5.218 -1.950) 5.981 3.780 ( -0.504 -2.139 0.535) 2.262 3.819 ( -2.497 -3.375 -3.416) 5.413 3.959 ( 0.720 2.408 3.618) 4.405 4.018 ( -0.436 0.852 -2.164) 2.366 4.312 ( 1.029 2.091 2.134) 3.160 4.350 ( -0.536 0.039 -2.024) 2.094 4.465 ( 2.061 1.523 -0.439) 2.600 4.488 ( -0.623 1.027 -2.493) 2.768 4.576 ( 2.031 -1.565 -1.821) 3.145 4.581 ( -2.300 -1.557 -2.104) 3.484 4.746 ( 0.423 0.899 1.528) 1.823 4.761 ( -0.769 0.544 0.183) 0.959 5.128 ( -2.340 1.828 2.458) 3.855 5.153 ( 0.446 -0.069 -0.408) 0.608 5.170 ( -0.457 0.919 -0.224) 1.050 5.182 ( -1.061 1.742 -0.625) 2.133 5.307 ( -0.589 0.685 0.263) 0.941 5.318 ( 1.845 0.362 -1.117) 2.187 5.593 ( 3.511 0.536 1.229) 3.759 5.604 ( -1.986 0.506 0.119) 2.052 5.746 ( -1.206 -1.113 2.564) 3.044 5.754 ( 1.300 -0.672 1.375) 2.008 5.875 ( 4.769 -0.093 2.438) 5.356 5.893 ( -3.874 -0.854 0.197) 3.972 5.982 ( -1.164 0.752 0.591) 1.507 6.009 ( -0.726 -0.250 -2.268) 2.395 6.167 ( 0.184 2.727 1.985) 3.378 6.202 ( -0.912 2.143 -1.625) 2.840 6.315 ( 0.669 -2.271 2.155) 3.202 6.353 ( -0.962 -3.094 -1.641) 3.632 6.456 ( -4.961 0.290 1.856) 5.305 6.485 ( 7.425 -0.565 -1.179) 7.539 6.544 ( 5.796 1.681 0.439) 6.051 6.555 ( -3.875 0.952 -0.373) 4.008 6.645 ( 1.351 -2.174 0.083) 2.561 6.655 ( -4.451 -1.181 -1.105) 4.736 6.689 ( -2.151 -2.803 2.050) 4.085 6.726 ( 1.427 -3.313 -1.767) 4.017 7.039 ( 1.031 1.395 2.453) 3.004 7.076 ( 0.104 1.003 -0.617) 1.182 7.139 ( -0.627 -3.387 1.261) 3.669 7.160 ( -1.019 -3.521 -1.215) 3.862 7.389 ( -0.561 4.563 -0.199) 4.602 7.406 ( 0.662 5.065 -1.937) 5.463 7.458 ( -0.786 2.629 1.221) 3.003 7.503 ( 2.057 2.887 -3.862) 5.242 8.210 ( 0.201 -4.122 2.608) 4.881 8.250 ( -0.772 -6.283 -1.397) 6.482 8.603 ( -2.368 5.676 -1.437) 6.315 8.614 ( 1.830 4.774 -2.360) 5.631 10.245 ( 0.305 0.571 0.329) 0.726 10.249 ( 0.218 0.532 0.003) 0.575 10.305 ( 1.974 0.325 1.357) 2.417 10.339 ( -3.562 -1.067 -2.034) 4.238 10.366 ( -0.056 0.100 0.848) 0.855 10.380 ( -0.829 -0.672 -0.627) 1.238 10.444 ( -0.093 0.452 0.517) 0.693 10.448 ( -0.075 0.422 0.022) 0.429 11.471 ( 0.165 0.513 0.334) 0.634 11.498 ( -0.004 -0.530 -2.408) 2.466 11.726 ( 0.097 -0.711 2.342) 2.449 11.755 ( 2.244 -2.191 -0.674) 3.208 12.252 ( -0.110 3.277 0.641) 3.341 12.280 ( 0.339 1.983 -2.217) 2.994 12.611 ( -0.374 -1.454 0.635) 1.630 12.622 ( 0.166 -1.789 -0.584) 1.889 ======================= Grid point 113 (63/75) ======================= q-point: ( 0.14 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 3.529 1.658 15.541) 16.023 1.448 ( 1.479 1.426 5.767) 6.122 1.661 ( 3.647 6.431 1.743) 7.596 1.670 ( 5.963 6.755 -8.883) 12.653 1.757 ( 2.976 -0.573 -4.224) 5.199 1.839 ( 3.019 -2.989 4.134) 5.928 1.972 ( -1.132 -3.203 -1.934) 3.909 2.059 ( 0.586 -4.444 1.423) 4.703 2.109 ( -2.350 -5.528 4.499) 7.504 2.162 ( -2.330 -4.566 -3.454) 6.181 2.275 ( -4.750 -0.117 4.751) 6.720 2.346 ( -1.882 -3.281 2.248) 4.400 2.469 ( -3.573 4.173 3.241) 6.379 2.503 ( -3.702 2.578 1.428) 4.732 2.533 ( -1.941 3.534 2.648) 4.823 2.653 ( 1.450 3.329 6.714) 7.633 2.678 ( -1.476 -2.095 0.187) 2.569 2.782 ( 2.389 0.949 -4.718) 5.373 2.859 ( -2.167 2.716 0.386) 3.496 2.942 ( 2.051 -2.408 -4.115) 5.190 3.016 ( -0.652 1.689 -3.397) 3.850 3.068 ( -0.653 -1.442 -2.601) 3.045 3.108 ( 2.800 -1.386 -3.648) 4.803 3.225 ( 3.015 -0.354 -2.907) 4.203 3.387 ( -5.878 -0.943 -2.056) 6.298 3.415 ( -2.194 -0.483 -1.212) 2.553 3.502 ( -2.343 0.866 -1.379) 2.854 3.534 ( -2.582 1.671 -0.748) 3.165 3.654 ( 0.232 -4.629 4.671) 6.580 3.710 ( 0.674 -3.169 -1.486) 3.564 3.781 ( 0.677 -3.398 -0.531) 3.505 3.853 ( 3.775 -3.383 1.339) 5.243 3.948 ( -2.015 1.230 1.333) 2.711 3.994 ( -0.767 1.441 -1.972) 2.560 4.291 ( -2.952 1.361 -1.252) 3.483 4.355 ( 0.900 0.561 0.396) 1.132 4.466 ( -0.320 1.122 -2.660) 2.905 4.522 ( 2.722 -0.400 -0.796) 2.864 4.566 ( 1.875 0.327 -1.784) 2.609 4.637 ( 4.405 -1.522 -0.264) 4.668 4.750 ( -0.286 0.982 0.117) 1.029 4.772 ( 1.460 0.022 1.324) 1.971 5.106 ( -1.098 1.742 3.550) 4.104 5.154 ( -0.759 0.831 0.782) 1.371 5.163 ( -0.073 0.642 0.355) 0.737 5.181 ( 0.904 0.086 1.201) 1.506 5.294 ( -0.765 1.221 -0.245) 1.461 5.364 ( 2.406 -0.785 -1.365) 2.876 5.554 ( -1.637 1.671 -2.099) 3.143 5.623 ( -3.773 -1.562 -0.601) 4.127 5.687 ( -1.328 0.120 0.213) 1.351 5.747 ( -1.199 -0.830 1.391) 2.015 5.880 ( 2.183 2.093 0.579) 3.079 5.956 ( 0.257 -1.373 -1.582) 2.111 5.966 ( -1.070 0.461 1.235) 1.698 6.014 ( 1.971 0.167 2.759) 3.394 6.143 ( -2.486 0.878 0.570) 2.697 6.181 ( -2.063 2.159 1.511) 3.347 6.273 ( -3.305 -1.846 0.267) 3.795 6.295 ( -5.905 -2.484 -0.097) 6.407 6.357 ( -4.633 2.316 -0.767) 5.236 6.448 ( -2.418 0.665 -0.490) 2.555 6.548 ( -3.636 -4.037 1.536) 5.646 6.588 ( 0.935 -0.133 -1.712) 1.956 6.598 ( 0.328 -0.037 -1.280) 1.322 6.681 ( -0.192 0.303 0.680) 0.768 6.756 ( 7.609 -1.642 2.873) 8.297 6.816 ( 5.017 -2.515 0.640) 5.649 7.037 ( -2.302 0.395 -1.678) 2.876 7.052 ( 0.121 0.105 -0.042) 0.166 7.103 ( -0.924 -1.661 0.655) 2.010 7.179 ( 0.160 -4.020 1.502) 4.295 7.367 ( -1.776 3.646 -0.186) 4.060 7.401 ( -0.599 4.062 -0.732) 4.171 7.475 ( 2.133 4.310 -0.586) 4.844 7.545 ( 2.858 1.991 -3.708) 5.087 8.209 ( -0.735 -3.724 2.393) 4.487 8.255 ( 1.137 -5.021 -0.323) 5.159 8.536 ( -3.551 5.062 -0.170) 6.185 8.610 ( -1.546 3.047 -1.269) 3.645 10.239 ( -0.274 0.944 0.167) 0.997 10.267 ( 0.826 0.129 -0.794) 1.153 10.290 ( -0.672 0.402 -0.197) 0.808 10.341 ( -0.292 -1.056 0.462) 1.188 10.384 ( 1.400 -0.350 1.474) 2.063 10.396 ( 2.736 -0.525 1.505) 3.166 10.438 ( -0.637 0.597 0.346) 0.939 10.445 ( 0.092 0.416 0.757) 0.869 11.476 ( 0.118 0.236 0.490) 0.557 11.490 ( 0.227 -0.303 -2.200) 2.232 11.735 ( 0.272 -0.168 0.124) 0.343 11.783 ( 1.378 -2.311 -3.301) 4.259 12.249 ( -0.407 2.974 0.803) 3.107 12.275 ( 0.061 1.896 -2.087) 2.821 12.596 ( -1.329 -1.333 0.659) 1.995 12.608 ( -1.406 -1.733 -0.013) 2.231 ======================= Grid point 114 (64/75) ======================= q-point: ( 0.29 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 8.824 2.586 4.062) 10.053 1.544 ( 6.517 1.237 8.873) 11.078 1.698 ( 3.369 3.778 -4.022) 6.465 1.799 ( 3.235 3.550 2.925) 5.624 1.835 ( 8.599 6.155 -6.375) 12.347 1.932 ( -1.655 -1.242 2.507) 3.250 1.934 ( 3.524 -4.253 3.233) 6.400 2.046 ( -1.539 -3.131 2.021) 4.033 2.101 ( 1.082 -4.909 -1.596) 5.274 2.143 ( 0.555 -1.644 1.024) 2.015 2.229 ( -2.605 -2.289 5.553) 6.547 2.308 ( -1.292 -5.023 -0.077) 5.187 2.397 ( -4.683 -0.710 3.332) 5.791 2.420 ( -5.839 6.823 2.239) 9.255 2.489 ( -2.234 -0.632 1.127) 2.581 2.596 ( -6.529 -1.952 -0.466) 6.830 2.698 ( -0.876 1.779 -0.793) 2.136 2.791 ( 0.679 0.103 0.864) 1.103 2.836 ( -0.415 0.323 -0.257) 0.585 2.935 ( -1.464 -1.256 -1.491) 2.438 3.013 ( -1.549 0.237 -1.611) 2.248 3.069 ( 1.495 0.381 1.357) 2.054 3.125 ( 3.421 -0.104 -9.974) 10.544 3.221 ( -4.785 0.296 -4.196) 6.372 3.295 ( 2.789 -3.500 -3.625) 5.759 3.369 ( -4.957 -5.185 -1.288) 7.288 3.456 ( -0.257 8.220 -2.855) 8.705 3.481 ( -3.741 1.259 0.935) 4.056 3.621 ( -2.970 -4.314 4.961) 7.214 3.741 ( -3.207 1.095 -0.925) 3.513 3.791 ( 4.999 -2.357 2.520) 6.075 3.886 ( -1.241 1.099 -0.895) 1.884 3.935 ( 0.375 -1.518 0.018) 1.564 4.015 ( 3.774 -0.870 0.966) 3.991 4.212 ( -4.530 2.781 -1.965) 5.667 4.351 ( -1.530 0.414 -1.233) 2.008 4.465 ( 1.282 1.117 -1.049) 1.998 4.553 ( 1.460 -2.351 -0.392) 2.795 4.619 ( 3.133 1.745 -1.529) 3.898 4.702 ( 1.252 0.815 -1.315) 1.990 4.757 ( 1.696 -1.475 0.785) 2.381 4.811 ( 1.958 -1.919 0.722) 2.835 5.109 ( -0.448 1.091 4.109) 4.275 5.151 ( -0.625 -0.243 1.116) 1.302 5.159 ( 0.146 2.414 -0.060) 2.419 5.209 ( 1.328 -0.355 2.121) 2.527 5.279 ( -0.317 0.289 0.188) 0.468 5.345 ( -4.321 -2.417 -2.508) 5.550 5.543 ( 0.624 1.067 -2.383) 2.684 5.557 ( 1.890 1.034 -2.235) 3.104 5.696 ( 0.488 0.880 -0.896) 1.348 5.734 ( -2.016 0.243 1.718) 2.660 5.899 ( -0.468 1.246 0.743) 1.524 5.933 ( -1.564 0.391 -0.438) 1.671 5.966 ( 1.575 -0.461 -0.627) 1.757 6.039 ( -0.603 -1.430 3.114) 3.479 6.104 ( -1.498 -0.114 0.518) 1.589 6.127 ( -4.049 0.271 2.500) 4.766 6.204 ( -1.984 -1.589 -1.202) 2.812 6.230 ( -2.441 -1.258 1.215) 3.003 6.293 ( -1.958 2.275 0.535) 3.049 6.389 ( -4.041 0.361 0.584) 4.099 6.498 ( -1.428 1.327 1.523) 2.474 6.611 ( 1.815 -0.741 -1.126) 2.261 6.621 ( 2.070 -2.095 -1.877) 3.492 6.643 ( -3.489 1.579 0.560) 3.870 6.867 ( 2.573 1.241 2.075) 3.531 6.914 ( 5.449 -0.913 2.369) 6.011 6.986 ( -2.264 0.319 -1.314) 2.637 7.071 ( 1.571 -5.483 -3.644) 6.768 7.102 ( 0.038 0.142 2.069) 2.075 7.168 ( -1.543 -3.285 1.339) 3.869 7.332 ( -1.430 3.365 -0.120) 3.658 7.374 ( -1.995 3.171 -0.022) 3.746 7.504 ( 0.768 3.435 -0.920) 3.638 7.564 ( 0.485 1.015 -3.641) 3.811 8.219 ( 0.619 -1.375 3.701) 3.996 8.282 ( 1.997 -3.652 -0.227) 4.169 8.486 ( -1.580 2.020 -0.387) 2.593 8.558 ( -3.133 1.211 -0.910) 3.480 10.238 ( -0.046 0.374 0.744) 0.834 10.270 ( -0.247 -0.968 -1.085) 1.475 10.290 ( 0.562 0.964 0.200) 1.133 10.327 ( -0.797 -0.390 -0.111) 0.894 10.395 ( -1.002 1.327 0.926) 1.904 10.418 ( -0.355 0.421 -0.880) 1.038 10.465 ( 3.148 -0.375 0.992) 3.321 10.484 ( 2.252 -1.248 3.926) 4.695 11.478 ( -0.072 0.248 0.205) 0.330 11.489 ( 0.502 -0.201 -2.130) 2.197 11.738 ( 0.254 0.148 -0.895) 0.942 11.785 ( 0.376 -1.871 -3.886) 4.329 12.243 ( -0.537 2.671 0.987) 2.898 12.268 ( 0.001 1.695 -1.927) 2.566 12.572 ( -1.226 -1.252 0.474) 1.815 12.578 ( -1.713 -1.417 0.652) 2.317 ======================= Grid point 115 (65/75) ======================= q-point: ( 0.43 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 5.593 4.000 -0.716) 6.914 1.710 ( -0.130 6.696 5.289) 8.534 1.745 ( 6.069 -1.541 2.053) 6.590 1.820 ( -2.856 1.923 6.728) 7.558 1.894 ( -0.909 -1.454 2.306) 2.874 1.959 ( 5.607 5.339 -6.964) 10.413 2.015 ( -0.549 -0.102 3.619) 3.662 2.049 ( 4.013 -1.294 -1.377) 4.435 2.149 ( 5.315 -2.059 -1.779) 5.971 2.188 ( 2.742 2.351 0.887) 3.719 2.196 ( -1.185 0.020 2.018) 2.340 2.298 ( -1.595 1.432 -1.527) 2.631 2.313 ( -4.738 1.841 -1.932) 5.438 2.385 ( 2.954 -8.721 7.042) 11.592 2.407 ( -6.135 -2.013 -1.854) 6.718 2.522 ( -0.999 -4.759 5.127) 7.066 2.630 ( -1.817 2.759 -4.700) 5.745 2.802 ( -2.275 -2.579 -3.885) 5.189 2.844 ( 0.211 -2.293 1.254) 2.622 2.886 ( -0.672 -4.262 -0.701) 4.372 2.953 ( -2.046 3.270 -0.107) 3.859 3.066 ( -1.524 -4.100 -4.165) 6.040 3.120 ( -3.832 -6.203 0.422) 7.303 3.200 ( 1.785 0.976 -2.731) 3.405 3.275 ( -0.959 -1.115 -1.093) 1.833 3.344 ( 0.085 1.208 -3.400) 3.609 3.396 ( -4.104 -0.046 3.097) 5.141 3.432 ( -0.119 5.457 -1.357) 5.624 3.630 ( 1.895 0.712 0.989) 2.253 3.670 ( -3.097 2.312 -0.312) 3.877 3.847 ( -0.642 -3.028 2.020) 3.696 3.914 ( 3.831 -0.478 -0.570) 3.903 3.941 ( 1.185 1.208 2.416) 2.950 4.104 ( 3.312 3.246 -1.304) 4.817 4.120 ( -2.749 0.859 0.480) 2.920 4.289 ( -3.725 0.550 -4.058) 5.536 4.504 ( 2.724 1.307 0.907) 3.155 4.573 ( 0.285 -1.621 -0.387) 1.691 4.650 ( 0.507 1.865 -0.716) 2.061 4.685 ( -0.950 2.956 -3.260) 4.502 4.798 ( 1.053 -4.316 1.956) 4.854 4.840 ( 1.064 -3.563 -0.923) 3.832 5.103 ( -1.273 -0.027 2.754) 3.034 5.133 ( -0.826 -1.341 -0.059) 1.576 5.184 ( 1.783 2.204 0.567) 2.891 5.234 ( -0.320 -0.351 -0.032) 0.476 5.266 ( -0.794 0.468 0.236) 0.952 5.285 ( 0.370 0.164 -0.607) 0.730 5.579 ( 2.404 0.062 -1.273) 2.721 5.588 ( -0.002 -0.093 -0.074) 0.119 5.678 ( -1.328 1.619 -0.032) 2.095 5.689 ( -2.238 1.603 0.336) 2.773 5.887 ( -0.691 1.683 0.993) 2.073 5.911 ( -0.166 0.642 -1.329) 1.485 6.008 ( 1.626 -2.067 1.464) 3.010 6.044 ( -0.349 -2.971 1.251) 3.242 6.074 ( -0.532 1.070 1.374) 1.821 6.092 ( -0.421 0.311 0.027) 0.523 6.178 ( -0.917 -1.176 0.833) 1.707 6.195 ( -1.282 -1.967 -0.085) 2.350 6.287 ( 0.974 1.024 0.233) 1.433 6.326 ( -2.231 0.235 -0.062) 2.244 6.501 ( 1.220 3.245 1.235) 3.680 6.563 ( -3.854 2.299 0.190) 4.492 6.636 ( 0.466 -0.101 0.442) 0.651 6.657 ( 1.407 -1.175 -1.507) 2.373 6.913 ( 1.754 1.552 1.083) 2.580 6.948 ( -1.454 0.591 -0.485) 1.643 6.997 ( 2.180 -1.755 1.714) 3.282 7.058 ( -1.697 -4.539 -0.502) 4.872 7.120 ( 1.437 -0.641 -0.652) 1.703 7.143 ( -1.332 -2.150 0.918) 2.691 7.321 ( -0.067 2.817 0.895) 2.957 7.344 ( -0.220 2.536 -0.817) 2.673 7.500 ( -0.546 2.675 -0.273) 2.744 7.542 ( -1.171 0.472 -3.030) 3.283 8.257 ( 1.675 -0.508 3.609) 4.011 8.318 ( 1.344 -3.225 -0.331) 3.509 8.468 ( -0.240 0.490 -0.664) 0.859 8.503 ( -1.464 0.082 -2.079) 2.544 10.241 ( -0.017 0.083 0.918) 0.922 10.259 ( -0.410 -0.364 -0.304) 0.627 10.304 ( 0.669 0.181 -0.322) 0.764 10.313 ( -0.567 -0.003 -0.080) 0.572 10.379 ( -0.737 1.326 1.274) 1.981 10.406 ( -0.366 0.357 -1.027) 1.147 10.521 ( 0.079 -0.726 3.177) 3.260 10.531 ( 3.293 -0.835 -0.361) 3.416 11.476 ( -0.193 0.385 0.060) 0.435 11.491 ( 0.375 -0.210 -1.990) 2.036 11.737 ( -0.189 0.055 -0.183) 0.268 11.771 ( -0.494 -1.364 -2.941) 3.279 12.237 ( -0.474 2.567 1.094) 2.830 12.263 ( 0.342 1.522 -1.881) 2.444 12.555 ( -0.862 -1.172 0.933) 1.728 12.558 ( -0.303 -1.253 0.149) 1.297 ======================= Grid point 116 (66/75) ======================= q-point: (-0.43 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -9.465 6.979 4.790) 12.698 1.640 ( -7.852 2.272 7.913) 11.377 1.782 ( -3.537 0.054 4.892) 6.037 1.844 ( 0.325 4.390 1.033) 4.522 1.899 ( 1.877 -1.675 1.499) 2.928 1.956 ( -1.888 1.852 -5.894) 6.460 2.049 ( 2.816 0.488 -2.571) 3.844 2.086 ( -5.750 -4.247 1.392) 7.283 2.153 ( 1.502 2.902 -7.963) 8.608 2.178 ( -0.627 0.562 -1.651) 1.853 2.274 ( 2.586 -0.204 -0.399) 2.624 2.291 ( 3.403 0.452 -1.816) 3.883 2.335 ( 7.211 2.379 -2.523) 8.001 2.360 ( 4.264 0.354 2.742) 5.082 2.449 ( 0.182 -4.129 3.005) 5.110 2.550 ( 3.537 -0.422 -4.158) 5.475 2.690 ( -4.021 -5.218 -7.790) 10.202 2.705 ( 8.049 -6.088 5.871) 11.675 2.848 ( -2.786 0.860 2.000) 3.536 2.874 ( -1.369 -1.753 2.179) 3.114 2.933 ( -2.630 1.047 3.317) 4.361 3.007 ( -1.709 -2.887 -3.693) 4.989 3.084 ( 1.180 -5.075 6.869) 8.622 3.178 ( -0.488 -7.208 -3.479) 8.019 3.256 ( -4.934 1.943 1.634) 5.549 3.303 ( -0.641 -0.632 0.390) 0.981 3.372 ( 0.492 6.476 4.356) 7.820 3.486 ( 4.661 2.883 -4.650) 7.187 3.649 ( 1.710 -0.326 -1.446) 2.263 3.679 ( 3.040 1.927 -0.780) 3.683 3.854 ( -0.787 -5.387 4.090) 6.809 3.905 ( -1.304 -4.881 -2.936) 5.843 3.979 ( -2.306 8.762 0.804) 9.096 4.080 ( 3.237 4.715 -2.464) 6.228 4.194 ( -2.020 -0.992 -2.632) 3.463 4.215 ( 3.350 -0.255 1.307) 3.605 4.539 ( -2.363 1.254 -1.892) 3.276 4.566 ( 2.181 0.180 0.244) 2.202 4.644 ( -0.853 2.371 0.014) 2.520 4.663 ( -0.271 2.273 -1.776) 2.897 4.804 ( -0.961 -3.977 1.818) 4.478 4.841 ( -0.560 -4.517 -1.578) 4.818 5.105 ( 0.679 -0.392 2.033) 2.179 5.141 ( 2.353 -1.755 -0.147) 2.939 5.214 ( -0.629 1.119 -2.104) 2.464 5.220 ( 1.745 1.277 -0.151) 2.168 5.274 ( -0.643 0.365 0.594) 0.949 5.286 ( 0.406 0.460 -0.456) 0.764 5.535 ( -4.669 0.550 3.114) 5.639 5.569 ( -3.415 0.359 1.741) 3.850 5.676 ( 0.491 1.093 -0.101) 1.203 5.693 ( 1.716 0.274 0.553) 1.823 5.896 ( 1.940 2.430 -0.765) 3.202 5.913 ( 0.337 0.717 -0.717) 1.069 5.988 ( -3.866 -1.250 3.044) 5.077 6.045 ( 1.114 -2.096 0.277) 2.390 6.093 ( 0.018 -0.716 0.906) 1.155 6.108 ( 2.945 0.176 -1.926) 3.523 6.171 ( -0.532 -1.452 0.934) 1.807 6.205 ( 2.669 -0.466 -0.832) 2.834 6.298 ( 0.545 2.157 -0.744) 2.346 6.338 ( 3.459 -0.737 -1.338) 3.781 6.506 ( -1.300 2.887 0.769) 3.258 6.563 ( 3.917 1.179 0.195) 4.095 6.624 ( -2.169 0.131 1.638) 2.721 6.650 ( -1.624 -0.735 -0.759) 1.938 6.924 ( -1.059 1.103 -0.315) 1.561 6.942 ( 1.179 1.021 0.463) 1.627 7.010 ( -2.632 -2.508 1.629) 3.984 7.015 ( -1.389 -2.389 1.839) 3.320 7.127 ( -0.217 -0.925 -0.310) 0.999 7.154 ( 1.887 -2.032 -0.643) 2.847 7.326 ( 0.535 3.221 0.175) 3.270 7.367 ( 2.556 1.933 -2.666) 4.169 7.495 ( -0.143 1.615 1.638) 2.305 7.513 ( -0.605 0.525 -1.561) 1.755 8.287 ( -0.257 -1.741 2.579) 3.122 8.315 ( -1.076 -2.931 -1.813) 3.610 8.467 ( 0.773 0.920 -0.771) 1.428 8.513 ( 3.320 0.355 -3.158) 4.596 10.243 ( -0.116 0.140 1.045) 1.061 10.254 ( -0.113 0.031 -0.266) 0.290 10.300 ( -0.327 0.313 -0.047) 0.455 10.316 ( 0.449 -0.147 -0.285) 0.552 10.380 ( 0.257 0.809 1.580) 1.793 10.401 ( 0.333 0.494 -0.937) 1.110 10.513 ( -1.681 0.111 1.364) 2.168 10.577 ( 1.829 -2.059 -2.384) 3.643 11.472 ( -0.252 0.505 0.202) 0.599 11.488 ( 0.144 -0.131 -1.420) 1.433 11.729 ( -0.847 -0.287 1.355) 1.624 11.746 ( -1.271 -0.922 -1.225) 1.991 12.235 ( -0.152 2.708 1.072) 2.916 12.267 ( 0.731 1.480 -1.965) 2.566 12.553 ( 0.409 -1.072 0.735) 1.363 12.563 ( 0.750 -1.338 -0.018) 1.534 ======================= Grid point 117 (67/75) ======================= q-point: (-0.29 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -9.442 10.493 8.754) 16.610 1.496 ( -9.782 4.403 11.638) 15.828 1.708 ( -5.008 0.709 4.621) 6.851 1.793 ( -4.182 2.400 -9.115) 10.312 1.883 ( -2.883 0.168 -4.267) 5.153 1.916 ( -2.641 -6.116 4.384) 7.975 1.995 ( -1.312 -3.829 -3.902) 5.622 2.047 ( -1.611 -3.860 -0.160) 4.186 2.131 ( 0.511 0.861 -2.762) 2.937 2.209 ( 3.719 0.417 -8.263) 9.071 2.292 ( 1.308 -1.407 -0.659) 2.031 2.388 ( 4.858 -2.114 -6.337) 8.260 2.449 ( 4.041 -1.240 1.445) 4.467 2.475 ( 5.310 6.297 -1.762) 8.423 2.494 ( 4.315 -1.158 0.144) 4.470 2.587 ( -5.170 5.038 10.243) 12.531 2.621 ( -0.120 -1.153 -3.362) 3.556 2.713 ( -0.283 2.278 5.016) 5.516 2.845 ( -1.041 -2.625 1.793) 3.345 2.889 ( -0.638 -1.811 0.680) 2.037 2.974 ( 3.957 -3.076 1.885) 5.355 3.000 ( 3.955 -1.788 1.381) 4.555 3.124 ( 0.518 -5.926 -0.376) 5.960 3.163 ( -0.213 4.119 -0.432) 4.147 3.245 ( -0.303 -1.333 1.730) 2.205 3.302 ( 5.271 -6.551 3.750) 9.207 3.413 ( 1.810 3.735 1.771) 4.513 3.540 ( 2.246 2.617 -3.717) 5.070 3.697 ( 2.564 -1.950 -1.761) 3.671 3.732 ( 2.099 0.525 1.679) 2.739 3.797 ( -4.820 -6.088 0.123) 7.766 3.890 ( 0.290 -2.502 -0.357) 2.543 3.948 ( 0.334 6.469 -3.352) 7.293 4.079 ( -2.970 3.721 -5.062) 6.949 4.191 ( 3.815 -0.436 0.431) 3.864 4.304 ( 3.303 -0.850 3.379) 4.801 4.481 ( -2.235 2.228 -2.386) 3.956 4.574 ( -1.056 -1.899 -2.638) 3.418 4.612 ( -2.141 2.204 -0.786) 3.172 4.673 ( 0.824 2.515 1.344) 2.968 4.773 ( -2.669 -2.785 -0.501) 3.889 4.813 ( -1.763 -3.586 0.233) 4.003 5.137 ( 1.607 1.242 1.429) 2.483 5.180 ( -0.092 -0.122 -2.701) 2.705 5.197 ( 0.665 0.794 -2.998) 3.172 5.241 ( -1.669 0.615 -1.244) 2.170 5.270 ( 2.203 -1.516 2.089) 3.393 5.306 ( 2.303 -0.626 0.833) 2.528 5.480 ( -1.366 2.086 3.958) 4.678 5.519 ( -1.347 1.238 2.055) 2.751 5.673 ( -0.995 0.455 1.245) 1.657 5.718 ( 0.035 -1.214 3.227) 3.448 5.906 ( -0.843 0.313 0.156) 0.913 5.923 ( -1.891 -0.300 1.490) 2.426 5.965 ( 3.585 2.680 -1.592) 4.751 6.080 ( 1.944 -1.499 -0.704) 2.554 6.090 ( -0.172 -0.094 1.340) 1.354 6.164 ( 1.826 -2.498 2.036) 3.705 6.182 ( 3.004 2.187 -2.363) 4.403 6.247 ( 1.934 0.948 -0.827) 2.307 6.329 ( 3.144 1.798 -2.602) 4.460 6.409 ( 3.918 0.068 -1.530) 4.207 6.506 ( 0.850 0.396 0.797) 1.231 6.578 ( -2.671 -1.359 2.438) 3.863 6.593 ( -2.467 -0.226 0.964) 2.658 6.655 ( 3.817 -0.423 -0.939) 3.953 6.892 ( -2.627 0.696 -0.562) 2.775 6.938 ( -4.796 -0.918 -0.010) 4.883 6.968 ( 1.457 0.577 0.889) 1.801 7.004 ( -0.888 -1.850 2.813) 3.482 7.131 ( 0.836 -1.051 -0.867) 1.599 7.179 ( 0.832 -3.277 -0.180) 3.386 7.343 ( 1.485 4.439 -0.974) 4.781 7.398 ( 1.415 3.028 -2.457) 4.149 7.502 ( -0.560 1.366 2.702) 3.079 7.510 ( 0.808 -0.314 -1.514) 1.744 8.264 ( -3.079 -2.357 0.652) 3.932 8.284 ( -0.457 -4.506 -1.790) 4.870 8.499 ( 3.048 2.908 -1.947) 4.641 8.577 ( 4.042 1.867 -3.107) 5.429 10.241 ( -0.681 0.282 1.608) 1.769 10.249 ( -0.208 0.082 -0.421) 0.477 10.300 ( 0.297 0.721 -0.592) 0.978 10.324 ( 0.526 -0.047 0.098) 0.537 10.394 ( 0.436 0.518 1.251) 1.422 10.413 ( 1.118 0.545 -0.567) 1.367 10.476 ( -2.216 0.109 -0.117) 2.222 10.567 ( -1.808 -3.109 -4.688) 5.909 11.469 ( -0.081 0.705 0.151) 0.725 11.490 ( 0.640 -0.154 -0.937) 1.145 11.716 ( -1.177 -0.725 1.923) 2.369 11.721 ( -1.077 -0.713 1.912) 2.307 12.240 ( 0.206 3.029 0.920) 3.172 12.274 ( 0.803 1.621 -2.119) 2.786 12.574 ( 1.445 -1.194 0.306) 1.899 12.584 ( 1.297 -1.412 0.004) 1.917 ======================= Grid point 118 (68/75) ======================= q-point: (-0.14 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -7.272 8.735 11.679) 16.297 1.408 ( -4.412 10.164 16.424) 19.812 1.645 ( -2.106 3.714 -5.426) 6.905 1.665 ( -4.290 -5.112 -6.116) 9.052 1.817 ( -2.814 -0.250 -2.431) 3.727 1.856 ( -3.377 -2.907 -1.126) 4.596 1.977 ( 0.209 -7.862 -1.166) 7.951 2.036 ( -0.147 -3.554 1.716) 3.949 2.141 ( 0.793 -1.801 -2.973) 3.565 2.240 ( 1.838 -2.702 -5.368) 6.285 2.309 ( 0.676 1.400 1.911) 2.464 2.400 ( -1.150 -0.529 -3.115) 3.362 2.480 ( -4.268 7.455 16.838) 18.903 2.490 ( -0.568 0.960 2.344) 2.596 2.545 ( 3.319 4.108 -1.951) 5.630 2.614 ( 5.653 0.772 -3.493) 6.690 2.654 ( 1.848 -0.044 -0.555) 1.930 2.773 ( -0.109 -1.340 0.511) 1.438 2.830 ( 1.845 -0.724 1.598) 2.546 2.894 ( 0.015 -3.222 0.856) 3.333 2.975 ( 1.203 0.133 -1.358) 1.819 3.082 ( 2.020 -1.216 -1.738) 2.929 3.134 ( 1.909 -2.573 -3.999) 5.124 3.186 ( -3.120 3.654 0.832) 4.876 3.271 ( 5.783 -0.984 5.651) 8.145 3.450 ( 3.794 -5.696 0.284) 6.849 3.482 ( 8.019 -1.289 0.535) 8.139 3.537 ( -0.698 1.856 -1.666) 2.590 3.690 ( -4.073 -4.091 1.533) 5.973 3.709 ( -1.257 -2.901 -0.369) 3.183 3.786 ( 0.609 -1.782 -1.142) 2.202 3.893 ( -0.336 -2.221 -0.043) 2.247 3.937 ( -1.267 4.366 -3.116) 5.511 4.019 ( 0.141 1.486 -3.250) 3.576 4.266 ( 3.052 1.419 1.669) 3.757 4.351 ( 0.856 -0.950 0.942) 1.589 4.450 ( -0.142 1.816 -1.329) 2.255 4.527 ( -2.469 0.122 -1.658) 2.976 4.576 ( -0.733 0.044 -2.846) 2.939 4.650 ( -3.500 -1.044 -1.351) 3.894 4.738 ( -0.326 0.259 1.023) 1.104 4.782 ( -1.520 -1.091 0.450) 1.924 5.155 ( -0.301 0.785 -1.311) 1.558 5.160 ( -0.677 2.685 0.612) 2.836 5.184 ( -1.102 -0.446 -1.296) 1.759 5.207 ( -0.912 1.672 -2.221) 2.926 5.292 ( 0.612 -0.093 -0.424) 0.750 5.333 ( -1.141 -1.304 2.060) 2.692 5.512 ( 3.125 2.403 2.320) 4.574 5.596 ( 5.445 -1.312 2.095) 5.980 5.669 ( 1.695 -0.179 1.981) 2.613 5.729 ( 0.590 -1.731 3.468) 3.921 5.865 ( -3.168 1.570 1.669) 3.910 5.925 ( 0.569 -1.517 1.371) 2.122 6.001 ( 0.496 1.208 -1.978) 2.370 6.059 ( -3.099 -0.074 -1.695) 3.533 6.131 ( 2.577 1.779 1.558) 3.497 6.215 ( 1.349 2.915 -1.795) 3.679 6.234 ( 3.950 -0.861 3.181) 5.144 6.317 ( 6.355 -1.423 -1.286) 6.638 6.383 ( 3.821 0.280 -3.173) 4.974 6.434 ( -0.386 0.145 0.866) 0.959 6.537 ( -2.821 -0.816 2.484) 3.846 6.564 ( 4.826 -0.453 0.651) 4.890 6.581 ( 0.634 1.237 1.025) 1.727 6.698 ( 0.489 -2.577 -1.161) 2.868 6.801 ( -6.138 -1.257 -1.706) 6.493 6.820 ( -7.775 -2.486 -0.101) 8.163 7.006 ( 1.583 0.882 1.437) 2.313 7.026 ( 2.724 0.285 1.767) 3.259 7.142 ( 0.588 -1.857 -2.348) 3.051 7.185 ( -0.416 -3.201 0.920) 3.357 7.376 ( 2.177 5.048 -0.901) 5.570 7.402 ( -0.039 3.979 -1.057) 4.117 7.484 ( -1.982 1.180 1.509) 2.756 7.511 ( -0.259 0.970 -3.080) 3.240 8.212 ( -1.883 -2.745 1.253) 3.557 8.272 ( -0.607 -6.350 -1.333) 6.517 8.560 ( 4.037 4.897 -2.720) 6.905 8.623 ( 1.552 3.947 -2.847) 5.108 10.236 ( -0.135 0.150 0.870) 0.893 10.246 ( 0.027 0.063 0.654) 0.658 10.297 ( -0.479 1.841 -0.750) 2.045 10.338 ( 0.913 -0.188 0.417) 1.021 10.397 ( -0.528 -0.301 -0.092) 0.615 10.431 ( 0.543 -0.022 -0.842) 1.002 10.445 ( -0.819 -0.334 -0.279) 0.928 10.475 ( -5.193 -1.581 -3.439) 6.426 11.469 ( 0.019 0.782 0.056) 0.784 11.501 ( 0.708 -0.550 -1.984) 2.177 11.716 ( 0.111 -1.069 3.048) 3.232 11.719 ( 0.318 -1.116 2.431) 2.693 12.248 ( 0.238 3.309 0.699) 3.390 12.279 ( 0.585 1.859 -2.222) 2.955 12.602 ( 1.103 -1.504 0.222) 1.878 12.608 ( 1.266 -1.469 -0.234) 1.954 ======================= Grid point 119 (69/75) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -4.687 -7.438 7.769) 11.732 1.420 ( -4.687 7.438 7.769) 11.732 1.653 ( -0.288 -4.663 5.590) 7.285 1.653 ( -0.288 4.663 5.590) 7.285 1.778 ( 3.248 -11.589 0.046) 12.036 1.778 ( 3.248 11.589 0.046) 12.036 1.925 ( 0.339 -7.067 -5.206) 8.784 1.925 ( 0.339 7.067 -5.206) 8.784 2.132 ( -1.877 -2.805 -3.343) 4.750 2.132 ( -1.877 2.805 -3.343) 4.750 2.357 ( -2.152 -0.242 -0.624) 2.254 2.357 ( -2.152 0.242 -0.624) 2.254 2.597 ( 1.202 -2.179 0.847) 2.629 2.597 ( 1.202 2.179 0.847) 2.629 2.614 ( -3.824 -4.481 7.741) 9.728 2.614 ( -3.824 4.481 7.741) 9.728 2.688 ( 2.335 -3.226 2.745) 4.836 2.688 ( 2.335 3.226 2.745) 4.836 2.868 ( 2.897 -0.689 -5.716) 6.445 2.868 ( 2.897 0.689 -5.716) 6.445 3.062 ( 1.261 -1.419 -2.127) 2.851 3.062 ( 1.261 1.419 -2.127) 2.851 3.127 ( -0.838 -2.555 1.328) 2.999 3.127 ( -0.838 2.555 1.328) 2.999 3.443 ( 0.337 -4.029 3.401) 5.284 3.443 ( 0.337 4.029 3.401) 5.284 3.527 ( 3.525 -3.952 -3.080) 6.126 3.527 ( 3.525 3.952 -3.080) 6.126 3.628 ( -2.285 -1.098 1.922) 3.182 3.628 ( -2.285 1.098 1.922) 3.182 3.759 ( -1.316 -1.240 -3.624) 4.050 3.759 ( -1.316 1.240 -3.624) 4.050 4.011 ( -0.059 -1.744 -0.383) 1.787 4.011 ( -0.059 1.744 -0.383) 1.787 4.340 ( 0.534 -0.870 -0.640) 1.205 4.340 ( 0.534 0.870 -0.640) 1.205 4.495 ( 0.805 -0.927 -0.797) 1.464 4.495 ( 0.805 0.927 -0.797) 1.464 4.557 ( -0.327 -0.378 -2.329) 2.382 4.557 ( -0.327 0.378 -2.329) 2.382 4.764 ( -0.003 -0.484 0.970) 1.084 4.764 ( -0.003 0.484 0.970) 1.084 5.146 ( -0.839 -0.440 -0.243) 0.978 5.146 ( -0.839 0.440 -0.243) 0.978 5.198 ( -1.373 -0.830 0.988) 1.883 5.198 ( -1.373 0.830 0.988) 1.883 5.320 ( 1.167 -0.357 -0.503) 1.320 5.320 ( 1.167 0.357 -0.503) 1.320 5.609 ( 0.487 -0.481 0.756) 1.020 5.609 ( 0.487 0.481 0.756) 1.020 5.734 ( 0.627 -0.488 1.685) 1.863 5.734 ( 0.627 0.488 1.685) 1.863 5.878 ( 0.637 -0.556 1.632) 1.838 5.878 ( 0.637 0.556 1.632) 1.838 5.997 ( -1.116 -0.743 -1.033) 1.692 5.997 ( -1.116 0.743 -1.033) 1.692 6.234 ( -0.650 -2.093 2.151) 3.071 6.234 ( -0.650 2.093 2.151) 3.071 6.286 ( -1.095 -1.864 -0.449) 2.208 6.286 ( -1.095 1.864 -0.449) 2.208 6.472 ( 2.547 -0.914 -0.274) 2.720 6.472 ( 2.547 0.914 -0.274) 2.720 6.574 ( 3.508 -2.700 1.059) 4.551 6.574 ( 3.508 2.700 1.059) 4.551 6.593 ( -6.173 -2.563 -0.839) 6.736 6.593 ( -6.173 2.563 -0.839) 6.736 6.697 ( 0.391 -1.068 -0.032) 1.138 6.697 ( 0.391 1.068 -0.032) 1.138 7.073 ( 1.897 -1.767 1.960) 3.250 7.073 ( 1.897 1.767 1.960) 3.250 7.113 ( -1.949 -1.158 -1.480) 2.708 7.113 ( -1.949 1.158 -1.480) 2.708 7.442 ( -0.643 -0.698 -0.806) 1.245 7.442 ( -0.643 0.698 -0.806) 1.245 7.520 ( 1.825 -1.856 -1.688) 3.103 7.520 ( 1.825 1.856 -1.688) 3.103 8.171 ( -0.380 -0.990 0.801) 1.328 8.171 ( -0.380 0.990 0.801) 1.328 8.666 ( -0.157 -0.177 -2.803) 2.812 8.666 ( -0.157 0.177 -2.803) 2.812 10.255 ( 0.861 -0.224 0.484) 1.013 10.255 ( 0.861 0.224 0.484) 1.013 10.315 ( -1.174 -0.972 -0.675) 1.666 10.315 ( -1.174 0.972 -0.675) 1.666 10.370 ( -0.615 -0.331 0.117) 0.708 10.370 ( -0.615 0.331 0.117) 0.708 10.451 ( 0.038 -0.175 0.320) 0.367 10.451 ( 0.038 0.175 0.320) 0.367 11.484 ( 0.039 -0.736 -1.076) 1.304 11.484 ( 0.039 0.736 -1.076) 1.304 11.723 ( 1.062 -0.714 1.124) 1.704 11.723 ( 1.062 0.714 1.124) 1.704 12.299 ( 0.103 -0.732 -1.042) 1.278 12.299 ( 0.103 0.732 -1.042) 1.278 12.595 ( -0.121 -0.390 0.010) 0.408 12.595 ( -0.121 0.390 0.010) 0.408 ======================= Grid point 121 (70/75) ======================= q-point: ( 0.14 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 1.311 -4.923 10.552) 11.718 1.415 ( 1.311 4.923 10.552) 11.718 1.701 ( 3.304 -3.813 3.667) 6.237 1.701 ( 3.304 3.813 3.667) 6.237 1.859 ( 4.017 -8.475 -2.433) 9.689 1.859 ( 4.017 8.475 -2.433) 9.689 1.936 ( 3.467 -8.517 -3.039) 9.685 1.936 ( 3.467 8.517 -3.039) 9.685 2.064 ( -3.613 -2.154 -1.116) 4.352 2.064 ( -3.613 2.154 -1.116) 4.352 2.294 ( -4.768 -1.715 2.865) 5.821 2.294 ( -4.768 1.715 2.865) 5.821 2.520 ( -5.142 -2.047 1.000) 5.624 2.520 ( -5.142 2.047 1.000) 5.624 2.619 ( -1.696 -3.730 2.354) 4.726 2.619 ( -1.696 3.730 2.354) 4.726 2.741 ( 1.159 -4.789 2.953) 5.744 2.741 ( 1.159 4.789 2.953) 5.744 2.900 ( 1.984 -1.695 -5.252) 5.865 2.900 ( 1.984 1.695 -5.252) 5.865 3.046 ( -1.450 -1.175 0.275) 1.887 3.046 ( -1.450 1.175 0.275) 1.887 3.144 ( 2.679 -4.817 -3.696) 6.636 3.144 ( 2.679 4.817 -3.696) 6.636 3.409 ( -5.061 -2.249 -1.701) 5.793 3.409 ( -5.061 2.249 -1.701) 5.793 3.555 ( 0.927 -1.661 -1.945) 2.721 3.555 ( 0.927 1.661 -1.945) 2.721 3.612 ( 0.150 -3.601 2.436) 4.351 3.612 ( 0.150 3.601 2.436) 4.351 3.765 ( 2.068 -2.277 1.195) 3.300 3.765 ( 2.068 2.277 1.195) 3.300 3.995 ( -1.256 -1.739 -1.106) 2.413 3.995 ( -1.256 1.739 -1.106) 2.413 4.333 ( -0.841 -2.180 -0.991) 2.538 4.333 ( -0.841 2.180 -0.991) 2.538 4.496 ( 0.234 -1.670 -1.798) 2.465 4.496 ( 0.234 1.670 -1.798) 2.465 4.597 ( 4.070 -2.162 -0.738) 4.668 4.597 ( 4.070 2.162 -0.738) 4.668 4.768 ( 0.204 -0.591 0.381) 0.733 4.768 ( 0.204 0.591 0.381) 0.733 5.138 ( -0.489 -1.363 1.705) 2.237 5.138 ( -0.489 1.363 1.705) 2.237 5.184 ( -0.281 -0.434 1.822) 1.894 5.184 ( -0.281 0.434 1.822) 1.894 5.332 ( -0.096 -2.316 -1.391) 2.703 5.332 ( -0.096 2.316 -1.391) 2.703 5.589 ( -2.539 -1.674 -0.986) 3.197 5.589 ( -2.539 1.674 -0.986) 3.197 5.712 ( -0.271 -2.193 0.202) 2.219 5.712 ( -0.271 2.193 0.202) 2.219 5.924 ( 1.420 -1.882 -0.871) 2.513 5.924 ( 1.420 1.882 -0.871) 2.513 5.993 ( 0.385 -1.900 2.414) 3.096 5.993 ( 0.385 1.900 2.414) 3.096 6.186 ( -4.448 -2.826 2.332) 5.763 6.186 ( -4.448 2.826 2.332) 5.763 6.251 ( -3.021 -1.503 0.449) 3.404 6.251 ( -3.021 1.503 0.449) 3.404 6.407 ( -4.343 -3.016 -0.576) 5.319 6.407 ( -4.343 3.016 -0.576) 5.319 6.544 ( 0.527 -2.556 -0.819) 2.735 6.544 ( 0.527 2.556 -0.819) 2.735 6.657 ( -0.440 -3.489 1.110) 3.688 6.657 ( -0.440 3.489 1.110) 3.688 6.757 ( 7.371 -2.570 1.087) 7.882 6.757 ( 7.371 2.570 1.087) 7.882 7.049 ( -2.714 -0.627 -1.740) 3.284 7.049 ( -2.714 0.627 -1.740) 3.284 7.115 ( 0.530 -2.408 1.930) 3.131 7.115 ( 0.530 2.408 1.930) 3.131 7.420 ( -1.412 -1.433 -0.325) 2.038 7.420 ( -1.412 1.433 -0.325) 2.038 7.551 ( 1.981 -2.125 -3.173) 4.302 7.551 ( 1.981 2.125 -3.173) 4.302 8.181 ( 1.067 -1.454 1.258) 2.199 8.181 ( 1.067 1.454 1.258) 2.199 8.619 ( -3.578 -2.328 -1.304) 4.464 8.619 ( -3.578 2.328 -1.304) 4.464 10.258 ( -0.364 -0.885 -0.624) 1.143 10.258 ( -0.364 0.885 -0.624) 1.143 10.312 ( 0.191 -1.622 0.858) 1.845 10.312 ( 0.191 1.622 0.858) 1.845 10.385 ( 2.141 -0.431 1.105) 2.448 10.385 ( 2.141 0.431 1.105) 2.448 10.448 ( -0.512 -0.184 0.324) 0.634 10.448 ( -0.512 0.184 0.324) 0.634 11.483 ( 0.178 -0.398 -0.797) 0.908 11.483 ( 0.178 0.398 -0.797) 0.908 11.744 ( 1.012 -1.286 -1.282) 2.079 11.744 ( 1.012 1.286 -1.282) 2.079 12.294 ( -0.311 -0.729 -0.773) 1.107 12.294 ( -0.311 0.729 -0.773) 1.107 12.581 ( -1.243 -0.399 0.333) 1.347 12.581 ( -1.243 0.399 0.333) 1.347 ======================= Grid point 123 (71/75) ======================= q-point: ( 0.29 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 8.679 -2.062 8.014) 11.992 1.553 ( 8.679 2.062 8.014) 11.992 1.786 ( 3.913 -6.570 3.032) 8.226 1.786 ( 3.913 6.570 3.032) 8.226 1.890 ( 1.072 -4.405 -3.233) 5.568 1.890 ( 1.072 4.405 -3.233) 5.568 1.992 ( 0.418 -1.360 3.833) 4.088 1.992 ( 0.418 1.360 3.833) 4.088 2.056 ( 5.282 -5.817 -5.013) 9.320 2.056 ( 5.282 5.817 -5.013) 9.320 2.226 ( -2.866 -2.060 4.568) 5.773 2.226 ( -2.866 2.060 4.568) 5.773 2.425 ( -5.812 -3.282 1.191) 6.780 2.425 ( -5.812 3.282 1.191) 6.780 2.554 ( -5.109 -3.722 0.846) 6.378 2.554 ( -5.109 3.722 0.846) 6.378 2.769 ( 1.126 -3.285 2.637) 4.360 2.769 ( 1.126 3.285 2.637) 4.360 2.859 ( -4.759 -4.005 -4.262) 7.540 2.859 ( -4.759 4.005 -4.262) 7.540 3.023 ( -0.559 -2.142 -2.014) 2.993 3.023 ( -0.559 2.142 -2.014) 2.993 3.196 ( 1.215 -5.245 -5.828) 7.934 3.196 ( 1.215 5.245 -5.828) 7.934 3.280 ( -2.649 -3.887 -4.350) 6.407 3.280 ( -2.649 3.887 -4.350) 6.407 3.518 ( -4.448 -2.605 3.939) 6.487 3.518 ( -4.448 2.605 3.939) 6.487 3.681 ( 4.681 -7.997 0.437) 9.276 3.681 ( 4.681 7.997 0.437) 9.276 3.796 ( -0.281 -4.557 0.573) 4.602 3.796 ( -0.281 4.557 0.573) 4.602 3.979 ( 0.828 -3.057 0.817) 3.271 3.979 ( 0.828 3.057 0.817) 3.271 4.304 ( -1.789 -4.525 -2.091) 5.296 4.304 ( -1.789 4.525 -2.091) 5.296 4.505 ( 1.405 -2.528 -0.781) 2.996 4.505 ( 1.405 2.528 -0.781) 2.996 4.666 ( 2.893 -2.837 -0.300) 4.063 4.666 ( 2.893 2.837 -0.300) 4.063 4.773 ( 0.235 -1.829 -0.656) 1.957 4.773 ( 0.235 1.829 -0.656) 1.957 5.134 ( -1.018 -1.243 2.586) 3.045 5.134 ( -1.018 1.243 2.586) 3.045 5.201 ( 0.965 -1.139 1.473) 2.098 5.201 ( 0.965 1.139 1.473) 2.098 5.296 ( -2.285 -1.890 -1.481) 3.315 5.296 ( -2.285 1.890 -1.481) 3.315 5.563 ( 1.006 -0.561 -1.806) 2.142 5.563 ( 1.006 0.561 -1.806) 2.142 5.722 ( 0.168 -1.360 -0.483) 1.453 5.722 ( 0.168 1.360 -0.483) 1.453 5.925 ( -0.248 -1.234 -0.595) 1.393 5.925 ( -0.248 1.234 -0.595) 1.393 5.994 ( -1.362 -2.897 2.751) 4.220 5.994 ( -1.362 2.897 2.751) 4.220 6.116 ( -2.990 -1.193 1.633) 3.610 6.116 ( -2.990 1.193 1.633) 3.610 6.199 ( -2.247 -1.304 0.354) 2.622 6.199 ( -2.247 1.304 0.354) 2.622 6.343 ( -2.900 -2.895 1.398) 4.330 6.343 ( -2.900 2.895 1.398) 4.330 6.571 ( 1.741 -3.231 -1.160) 3.849 6.571 ( 1.741 3.231 -1.160) 3.849 6.631 ( -1.127 -2.426 0.036) 2.675 6.631 ( -1.127 2.426 0.036) 2.675 6.890 ( 4.899 -1.348 2.311) 5.582 6.890 ( 4.899 1.348 2.311) 5.582 7.001 ( -1.360 -1.540 -1.921) 2.813 7.001 ( -1.360 1.540 -1.921) 2.813 7.118 ( -0.610 -1.625 1.466) 2.272 7.118 ( -0.610 1.625 1.466) 2.272 7.388 ( -1.707 -1.634 -0.097) 2.365 7.388 ( -1.707 1.634 -0.097) 2.365 7.560 ( 0.153 -1.767 -3.296) 3.743 7.560 ( 0.153 1.767 -3.296) 3.743 8.219 ( 2.176 -1.829 1.798) 3.363 8.219 ( 2.176 1.829 1.798) 3.363 8.542 ( -3.678 -2.541 -0.804) 4.542 8.542 ( -3.678 2.541 -0.804) 4.542 10.250 ( -0.317 -0.882 0.089) 0.941 10.250 ( -0.317 0.882 0.089) 0.941 10.312 ( -0.188 -1.060 0.170) 1.090 10.312 ( -0.188 1.060 0.170) 1.090 10.419 ( -0.455 -0.684 0.008) 0.821 10.419 ( -0.455 0.684 0.008) 0.821 10.463 ( 2.678 -0.514 1.864) 3.303 10.463 ( 2.678 0.514 1.864) 3.303 11.484 ( 0.234 -0.330 -0.816) 0.911 11.484 ( 0.234 0.330 -0.816) 0.911 11.751 ( 0.469 -1.271 -2.209) 2.591 11.751 ( 0.469 1.271 -2.209) 2.591 12.284 ( -0.391 -0.682 -0.544) 0.956 12.284 ( -0.391 0.682 -0.544) 0.956 12.557 ( -1.348 -0.189 0.577) 1.479 12.557 ( -1.348 0.189 0.577) 1.479 ======================= Grid point 125 (72/75) ======================= q-point: ( 0.43 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 3.254 -2.105 0.460) 3.903 1.708 ( 3.254 2.105 0.460) 3.903 1.842 ( -0.363 -2.572 2.453) 3.573 1.842 ( -0.363 2.572 2.453) 3.573 1.919 ( 1.955 -6.086 7.737) 10.036 1.919 ( 1.955 6.086 7.737) 10.036 2.035 ( 3.471 -1.634 -2.245) 4.445 2.035 ( 3.471 1.634 -2.245) 4.445 2.169 ( 9.115 -5.013 -1.528) 10.514 2.169 ( 9.115 5.013 -1.528) 10.514 2.246 ( 3.574 -3.449 2.255) 5.455 2.246 ( 3.574 3.449 2.255) 5.455 2.308 ( -6.322 -2.850 0.404) 6.946 2.308 ( -6.322 2.850 0.404) 6.946 2.447 ( -6.970 -4.559 1.565) 8.474 2.447 ( -6.970 4.559 1.565) 8.474 2.711 ( -5.601 -5.864 -7.323) 10.927 2.711 ( -5.601 5.864 -7.323) 10.927 2.822 ( 2.302 -0.836 3.194) 4.025 2.822 ( 2.302 0.836 3.194) 4.025 3.006 ( -1.038 -2.340 -2.800) 3.794 3.006 ( -1.038 2.340 -2.800) 3.794 3.084 ( -4.963 -3.787 -4.521) 7.709 3.084 ( -4.963 3.787 -4.521) 7.709 3.337 ( 2.694 -1.995 -2.183) 4.001 3.337 ( 2.694 1.995 -2.183) 4.001 3.453 ( -2.138 -3.175 4.700) 6.062 3.453 ( -2.138 3.175 4.700) 6.062 3.737 ( -0.774 -3.159 1.454) 3.563 3.737 ( -0.774 3.159 1.454) 3.563 3.766 ( -0.122 -8.124 -2.265) 8.435 3.766 ( -0.122 8.124 -2.265) 8.435 4.046 ( 4.382 -4.765 4.289) 7.765 4.046 ( 4.382 4.765 4.289) 7.765 4.244 ( -3.009 -5.050 -5.086) 7.773 4.244 ( -3.009 5.050 -5.086) 7.773 4.539 ( 1.880 -1.949 0.516) 2.757 4.539 ( 1.880 1.949 0.516) 2.757 4.700 ( 0.925 -2.889 -0.024) 3.033 4.700 ( 0.925 2.889 -0.024) 3.033 4.767 ( -0.431 -3.053 -1.703) 3.522 4.767 ( -0.431 3.053 -1.703) 3.522 5.111 ( -1.699 -0.788 1.417) 2.349 5.111 ( -1.699 0.788 1.417) 2.349 5.220 ( 0.727 -1.264 0.185) 1.470 5.220 ( 0.727 1.264 0.185) 1.470 5.277 ( 0.442 -0.735 0.060) 0.859 5.277 ( 0.442 0.735 0.060) 0.859 5.584 ( 0.451 -0.317 -0.167) 0.576 5.584 ( 0.451 0.317 -0.167) 0.576 5.702 ( -1.427 -0.477 -0.313) 1.537 5.702 ( -1.427 0.477 -0.313) 1.537 5.922 ( 0.454 -0.965 -0.477) 1.169 5.922 ( 0.454 0.965 -0.477) 1.169 5.986 ( -0.554 -1.479 2.006) 2.553 5.986 ( -0.554 1.479 2.006) 2.553 6.094 ( -0.061 -0.474 0.829) 0.957 6.094 ( -0.061 0.474 0.829) 0.957 6.167 ( -0.974 -0.453 -0.192) 1.092 6.167 ( -0.974 0.453 -0.192) 1.092 6.312 ( -0.673 -1.244 0.850) 1.650 6.312 ( -0.673 1.244 0.850) 1.650 6.566 ( -1.112 -2.114 0.074) 2.390 6.566 ( -1.112 2.114 0.074) 2.390 6.641 ( 0.986 -0.544 -0.024) 1.127 6.641 ( 0.986 0.544 -0.024) 1.127 6.948 ( 0.971 -1.635 0.781) 2.055 6.948 ( 0.971 1.635 0.781) 2.055 6.984 ( -0.320 -2.129 -0.025) 2.153 6.984 ( -0.320 2.129 -0.025) 2.153 7.115 ( 0.049 -0.440 0.614) 0.757 7.115 ( 0.049 0.440 0.614) 0.757 7.366 ( -0.248 -0.842 -0.214) 0.903 7.366 ( -0.248 0.842 -0.214) 0.903 7.537 ( -1.097 -1.026 -2.333) 2.775 7.537 ( -1.097 1.026 -2.333) 2.775 8.265 ( 1.444 -1.630 2.143) 3.055 8.265 ( 1.444 1.630 2.143) 3.055 8.488 ( -1.157 -1.267 -1.719) 2.429 8.488 ( -1.157 1.267 -1.719) 2.429 10.248 ( -0.029 -0.584 0.186) 0.613 10.248 ( -0.029 0.584 0.186) 0.613 10.310 ( -0.072 -0.301 0.046) 0.313 10.310 ( -0.072 0.301 0.046) 0.313 10.403 ( -0.784 -0.841 0.450) 1.234 10.403 ( -0.784 0.841 0.450) 1.234 10.516 ( 1.861 -0.378 0.813) 2.066 10.516 ( 1.861 0.378 0.813) 2.066 11.484 ( 0.099 -0.414 -0.785) 0.893 11.484 ( 0.099 0.414 -0.785) 0.893 11.746 ( -0.272 -0.927 -1.530) 1.810 11.746 ( -0.272 0.927 -1.530) 1.810 12.277 ( -0.081 -0.726 -0.482) 0.875 12.277 ( -0.081 0.726 -0.482) 0.875 12.540 ( -0.541 -0.130 0.554) 0.785 12.540 ( -0.541 0.130 0.554) 0.785 ======================= Grid point 127 (73/75) ======================= q-point: (-0.43 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -4.701 -0.995 3.744) 6.092 1.685 ( -4.701 0.995 3.744) 6.092 1.819 ( -4.973 -4.911 6.849) 9.786 1.819 ( -4.973 4.911 6.849) 9.786 1.935 ( -0.048 -3.721 -1.322) 3.949 1.935 ( -0.048 3.721 -1.322) 3.949 2.059 ( -3.900 -0.506 -0.394) 3.952 2.059 ( -3.900 0.506 -0.394) 3.952 2.222 ( -1.594 -4.282 -6.795) 8.188 2.222 ( -1.594 4.282 -6.795) 8.188 2.255 ( 0.191 -4.314 -2.428) 4.954 2.255 ( 0.191 4.314 -2.428) 4.954 2.359 ( 4.774 -2.784 -0.875) 5.595 2.359 ( 4.774 2.784 -0.875) 5.595 2.468 ( 12.906 -7.839 3.066) 15.408 2.468 ( 12.906 7.839 3.066) 15.408 2.633 ( 0.049 -1.522 -2.753) 3.146 2.633 ( 0.049 1.522 -2.753) 3.146 2.857 ( -1.624 -0.530 0.680) 1.839 2.857 ( -1.624 0.530 0.680) 1.839 2.973 ( -1.038 -1.009 -0.225) 1.465 2.973 ( -1.038 1.009 -0.225) 1.465 3.019 ( -0.539 -3.945 1.873) 4.401 3.019 ( -0.539 3.945 1.873) 4.401 3.298 ( -3.982 -1.629 1.295) 4.493 3.298 ( -3.982 1.629 1.295) 4.493 3.510 ( 4.343 -3.337 0.183) 5.480 3.510 ( 4.343 3.337 0.183) 5.480 3.694 ( -2.831 -6.837 3.193) 8.059 3.694 ( -2.831 6.837 3.193) 8.059 3.779 ( 1.173 -6.316 -2.158) 6.776 3.779 ( 1.173 6.316 -2.158) 6.776 4.126 ( -0.487 -4.780 0.832) 4.877 4.126 ( -0.487 4.780 0.832) 4.877 4.182 ( 1.572 -2.989 -3.262) 4.696 4.182 ( 1.572 2.989 -3.262) 4.696 4.560 ( 0.008 -0.697 -1.214) 1.400 4.560 ( 0.008 0.697 -1.214) 1.400 4.704 ( -0.523 -0.801 -0.214) 0.980 4.704 ( -0.523 0.801 -0.214) 0.980 4.751 ( -0.448 -1.400 -0.602) 1.589 4.751 ( -0.448 1.400 -0.602) 1.589 5.112 ( 1.655 -1.047 1.371) 2.390 5.112 ( 1.655 1.047 1.371) 2.390 5.227 ( 0.085 -0.302 -0.762) 0.824 5.227 ( 0.085 0.302 -0.762) 0.824 5.285 ( 0.094 -0.518 -0.485) 0.716 5.285 ( 0.094 0.518 -0.485) 0.716 5.556 ( -3.213 -1.248 2.664) 4.357 5.556 ( -3.213 1.248 2.664) 4.357 5.692 ( 0.076 -0.398 0.504) 0.646 5.692 ( 0.076 0.398 0.504) 0.646 5.932 ( 0.155 -0.640 -0.824) 1.054 5.932 ( 0.155 0.640 -0.824) 1.054 5.988 ( 0.745 -2.667 1.021) 2.952 5.988 ( 0.745 2.667 1.021) 2.952 6.095 ( -0.109 -0.891 0.977) 1.327 6.095 ( -0.109 0.891 0.977) 1.327 6.181 ( 2.598 -1.613 -1.751) 3.524 6.181 ( 2.598 1.613 -1.751) 3.524 6.326 ( 2.054 -0.824 -0.546) 2.280 6.326 ( 2.054 0.824 -0.546) 2.280 6.558 ( -0.049 -1.616 0.961) 1.881 6.558 ( -0.049 1.616 0.961) 1.881 6.635 ( -1.577 -0.783 0.475) 1.824 6.635 ( -1.577 0.783 0.475) 1.824 6.956 ( -0.219 -1.774 -0.034) 1.787 6.956 ( -0.219 1.774 -0.034) 1.787 6.973 ( -1.002 -1.242 1.225) 2.012 6.973 ( -1.002 1.242 1.225) 2.012 7.122 ( 0.444 -0.765 -0.129) 0.894 7.122 ( 0.444 0.765 -0.129) 0.894 7.380 ( 1.887 -1.352 -1.424) 2.723 7.380 ( 1.887 1.352 -1.424) 2.723 7.514 ( -0.634 -0.474 -0.168) 0.809 7.514 ( -0.634 0.474 -0.168) 0.809 8.272 ( -1.519 -0.836 1.493) 2.288 8.272 ( -1.519 0.836 1.493) 2.288 8.497 ( 3.007 -1.661 -2.735) 4.391 8.497 ( 3.007 1.661 -2.735) 4.391 10.249 ( 0.084 -0.379 0.014) 0.389 10.249 ( 0.084 0.379 0.014) 0.389 10.310 ( 0.046 -0.473 0.091) 0.484 10.310 ( 0.046 0.473 0.091) 0.484 10.399 ( 0.084 -0.768 0.858) 1.154 10.399 ( 0.084 0.768 0.858) 1.154 10.533 ( -0.107 -1.914 -0.876) 2.107 10.533 ( -0.107 1.914 -0.876) 2.107 11.482 ( 0.017 -0.484 -0.520) 0.711 11.482 ( 0.017 0.484 -0.520) 0.711 11.730 ( -1.062 -0.476 0.006) 1.164 11.730 ( -1.062 0.476 0.006) 1.164 12.278 ( 0.419 -0.890 -0.601) 1.153 12.278 ( 0.419 0.890 -0.601) 1.153 12.542 ( 0.546 -0.326 0.365) 0.733 12.542 ( 0.546 0.326 0.365) 0.733 ======================= Grid point 129 (74/75) ======================= q-point: (-0.29 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -5.728 -4.637 4.949) 8.877 1.600 ( -5.728 4.637 4.949) 8.877 1.721 ( -7.394 -10.537 10.631) 16.695 1.721 ( -7.394 10.537 10.631) 16.695 1.881 ( -5.392 -6.678 -7.053) 11.109 1.881 ( -5.392 6.678 -7.053) 11.109 1.967 ( -1.497 -4.387 -0.486) 4.661 1.967 ( -1.497 4.387 -0.486) 4.661 2.171 ( 0.080 -3.194 -7.122) 7.806 2.171 ( 0.080 3.194 -7.122) 7.806 2.323 ( 5.168 -4.107 -6.225) 9.074 2.323 ( 5.168 4.107 -6.225) 9.074 2.445 ( 4.562 -1.786 -0.027) 4.900 2.445 ( 4.562 1.786 -0.027) 4.900 2.596 ( 3.173 -3.775 -3.268) 5.916 2.596 ( 3.173 3.775 -3.268) 5.916 2.746 ( -1.216 -8.951 7.405) 11.681 2.746 ( -1.216 8.951 7.405) 11.681 2.794 ( 2.281 -5.931 2.343) 6.773 2.794 ( 2.281 5.931 2.343) 6.773 2.941 ( 0.271 -1.675 1.526) 2.282 2.941 ( 0.271 1.675 1.526) 2.282 3.106 ( 4.740 -5.780 4.810) 8.889 3.106 ( 4.740 5.780 4.810) 8.889 3.248 ( 0.204 -1.100 -1.222) 1.657 3.248 ( 0.204 1.100 -1.222) 1.657 3.551 ( -1.059 -4.235 1.706) 4.687 3.551 ( -1.059 4.235 1.706) 4.687 3.672 ( -0.348 -1.819 1.405) 2.324 3.672 ( -0.348 1.819 1.405) 2.324 3.800 ( 1.886 -4.706 -2.030) 5.461 3.800 ( 1.886 4.706 -2.030) 5.461 4.059 ( -2.729 -3.879 -6.087) 7.717 4.059 ( -2.729 3.879 -6.087) 7.717 4.254 ( 3.419 -3.923 2.902) 5.958 4.254 ( 3.419 3.923 2.902) 5.958 4.532 ( -1.577 -2.477 -3.345) 4.451 4.532 ( -1.577 2.477 -3.345) 4.451 4.672 ( -2.650 -3.388 -0.946) 4.404 4.672 ( -2.650 3.388 -0.946) 4.404 4.753 ( 0.198 -1.960 1.360) 2.394 4.753 ( 0.198 1.960 1.360) 2.394 5.166 ( 2.302 -1.203 0.144) 2.602 5.166 ( 2.302 1.203 0.144) 2.602 5.222 ( -0.011 -1.881 -0.856) 2.066 5.222 ( -0.011 1.881 -0.856) 2.066 5.280 ( 0.128 -1.779 -0.217) 1.797 5.280 ( 0.128 1.779 -0.217) 1.797 5.520 ( -0.912 -1.320 2.755) 3.188 5.520 ( -0.912 1.320 2.755) 3.188 5.690 ( -0.976 -1.326 2.382) 2.895 5.690 ( -0.976 1.326 2.382) 2.895 5.916 ( -1.297 -0.522 0.886) 1.655 5.916 ( -1.297 0.522 0.886) 1.655 6.030 ( 2.779 -3.411 -1.444) 4.631 6.030 ( 2.779 3.411 -1.444) 4.631 6.112 ( 1.743 -2.211 1.800) 3.342 6.112 ( 1.743 2.211 1.800) 3.342 6.229 ( 3.105 -2.187 -2.527) 4.562 6.229 ( 3.105 2.187 -2.527) 4.562 6.376 ( 3.195 -2.583 -1.893) 4.524 6.376 ( 3.195 2.583 -1.893) 4.524 6.539 ( -2.762 -1.977 2.246) 4.072 6.539 ( -2.762 1.977 2.246) 4.072 6.626 ( 1.174 -2.643 0.370) 2.915 6.626 ( 1.174 2.643 0.370) 2.915 6.909 ( -4.767 -1.347 0.434) 4.972 6.909 ( -4.767 1.347 0.434) 4.972 6.983 ( 1.460 -0.788 0.070) 1.661 6.983 ( 1.460 0.788 0.070) 1.661 7.130 ( 0.549 -1.315 -0.012) 1.425 7.130 ( 0.549 1.315 -0.012) 1.425 7.417 ( 2.528 -2.119 -2.851) 4.359 7.417 ( 2.528 2.119 -2.851) 4.359 7.509 ( -0.450 -0.538 1.779) 1.913 7.509 ( -0.450 0.538 1.779) 1.913 8.233 ( -2.629 -0.234 0.492) 2.685 8.233 ( -2.629 0.234 0.492) 2.685 8.566 ( 4.955 -2.694 -3.364) 6.567 8.566 ( 4.955 2.694 -3.364) 6.567 10.247 ( -0.375 -0.297 0.415) 0.633 10.247 ( -0.375 0.297 0.415) 0.633 10.316 ( 0.713 -0.729 -0.303) 1.064 10.316 ( 0.713 0.729 -0.303) 1.064 10.410 ( 0.564 -0.805 0.826) 1.284 10.410 ( 0.564 0.805 0.826) 1.284 10.503 ( -2.334 -2.746 -2.208) 4.226 10.503 ( -2.334 2.746 -2.208) 4.226 11.483 ( 0.291 -0.585 -0.554) 0.856 11.483 ( 0.291 0.585 -0.554) 0.856 11.710 ( -1.256 -0.199 1.866) 2.258 11.710 ( -1.256 0.199 1.866) 2.258 12.287 ( 0.742 -0.953 -0.865) 1.485 12.287 ( 0.742 0.953 -0.865) 1.485 12.561 ( 1.268 -0.339 0.135) 1.320 12.561 ( 1.268 0.339 0.135) 1.320 ======================= Grid point 131 (75/75) ======================= q-point: (-0.14 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -6.025 -9.313 4.119) 11.833 1.503 ( -6.025 9.313 4.119) 11.833 1.659 ( -3.327 -12.226 10.318) 16.340 1.659 ( -3.327 12.226 10.318) 16.340 1.776 ( -2.645 -9.334 -3.108) 10.187 1.776 ( -2.645 9.334 -3.108) 10.187 1.945 ( -0.520 -6.283 -3.689) 7.304 1.945 ( -0.520 6.283 -3.689) 7.304 2.157 ( 0.746 -3.216 -6.566) 7.349 2.157 ( 0.746 3.216 -6.566) 7.349 2.372 ( 2.057 -2.443 -5.273) 6.164 2.372 ( 2.057 2.443 -5.273) 6.164 2.527 ( 4.198 -3.191 0.366) 5.286 2.527 ( 4.198 3.191 0.366) 5.286 2.630 ( -1.419 -3.829 8.015) 8.995 2.630 ( -1.419 3.829 8.015) 8.995 2.688 ( -2.344 -6.012 4.861) 8.079 2.688 ( -2.344 6.012 4.861) 8.079 2.839 ( 1.580 -1.667 -3.216) 3.952 2.839 ( 1.580 1.667 -3.216) 3.952 3.016 ( 3.833 -3.559 1.303) 5.390 3.016 ( 3.833 3.559 1.303) 5.390 3.141 ( -0.328 -3.195 -0.397) 3.237 3.141 ( -0.328 3.195 -0.397) 3.237 3.351 ( 7.428 -3.980 3.352) 9.069 3.351 ( 7.428 3.980 3.352) 9.069 3.512 ( -2.348 -3.595 2.002) 4.738 3.512 ( -2.348 3.595 2.002) 4.738 3.664 ( -1.140 -1.436 -0.883) 2.035 3.664 ( -1.140 1.436 -0.883) 2.035 3.806 ( -0.921 -3.788 -3.526) 5.256 3.806 ( -0.921 3.788 -3.526) 5.256 4.011 ( -0.090 -2.189 -3.164) 3.848 4.011 ( -0.090 2.189 -3.164) 3.848 4.314 ( 2.000 -2.595 1.561) 3.630 4.314 ( 2.000 2.595 1.561) 3.630 4.496 ( -0.662 -2.501 -2.470) 3.577 4.496 ( -0.662 2.501 -2.470) 3.577 4.607 ( -3.264 -2.504 -1.683) 4.445 4.607 ( -3.264 2.504 -1.683) 4.445 4.760 ( 0.018 -1.313 1.299) 1.847 4.760 ( 0.018 1.313 1.299) 1.847 5.168 ( -0.856 -0.839 -1.529) 1.942 5.168 ( -0.856 0.839 -1.529) 1.942 5.217 ( -0.518 -1.684 -0.793) 1.932 5.217 ( -0.518 1.684 -0.793) 1.932 5.300 ( 0.929 -1.470 1.393) 2.228 5.300 ( 0.929 1.470 1.393) 2.228 5.562 ( 3.782 -2.179 1.777) 4.712 5.562 ( 3.782 2.179 1.777) 4.712 5.686 ( 0.401 -1.964 2.974) 3.586 5.686 ( 0.401 1.964 2.974) 3.586 5.897 ( -1.439 -1.425 1.411) 2.468 5.897 ( -1.439 1.425 1.411) 2.468 6.034 ( -1.609 -1.997 -1.331) 2.889 6.034 ( -1.609 1.997 -1.331) 2.889 6.187 ( 4.294 -3.256 1.727) 5.659 6.187 ( 4.294 3.256 1.727) 5.659 6.279 ( 2.880 -2.881 -2.073) 4.571 6.279 ( 2.880 2.881 -2.073) 4.571 6.406 ( 1.028 -2.231 -0.507) 2.508 6.406 ( 1.028 2.231 -0.507) 2.508 6.527 ( 1.409 -0.774 1.089) 1.942 6.527 ( 1.409 0.774 1.089) 1.942 6.656 ( 1.116 -3.193 0.979) 3.521 6.656 ( 1.116 3.193 0.979) 3.521 6.781 ( -8.112 -0.342 -1.482) 8.254 6.781 ( -8.112 0.342 -1.482) 8.254 7.023 ( 2.373 -0.663 1.053) 2.680 7.023 ( 2.373 0.663 1.053) 2.680 7.138 ( -0.093 -1.443 -0.359) 1.490 7.138 ( -0.093 1.443 -0.359) 1.490 7.444 ( 1.275 -1.065 -2.755) 3.218 7.444 ( 1.275 1.065 -2.755) 3.218 7.506 ( -0.278 -1.301 1.327) 1.879 7.506 ( -0.278 1.301 1.327) 1.879 8.190 ( -1.824 -1.378 0.402) 2.321 8.190 ( -1.824 1.378 0.402) 2.321 8.641 ( 3.861 -2.150 -3.663) 5.740 8.641 ( 3.861 2.150 -3.663) 5.740 10.243 ( -0.103 -0.375 0.926) 1.004 10.243 ( -0.103 0.375 0.926) 1.004 10.328 ( 0.484 -1.005 -0.816) 1.382 10.328 ( 0.484 1.005 -0.816) 1.382 10.406 ( -1.896 -1.466 -1.046) 2.615 10.406 ( -1.896 1.466 -1.046) 2.615 10.452 ( -1.038 -0.741 -0.308) 1.312 10.452 ( -1.038 0.741 -0.308) 1.312 11.486 ( 0.267 -0.877 -1.113) 1.442 11.486 ( 0.267 0.877 -1.113) 1.442 11.705 ( -0.103 -0.131 2.778) 2.783 11.705 ( -0.103 0.131 2.778) 2.783 12.297 ( 0.590 -0.822 -1.090) 1.487 12.297 ( 0.590 0.822 -1.090) 1.487 12.585 ( 1.057 -0.238 -0.049) 1.084 12.585 ( 1.057 0.238 -0.049) 1.084 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/18816 10.0 656.421 586.317 689.187 0.000 39.670 0.000 3/18816 20.0 95.393 108.726 116.993 0.000 -6.027 0.000 3/18816 30.0 35.587 41.447 43.372 0.000 -2.907 0.000 3/18816 40.0 19.480 22.597 23.187 0.000 -1.597 0.000 3/18816 50.0 12.791 14.746 14.879 0.000 -1.007 0.000 3/18816 60.0 9.325 10.691 10.647 0.000 -0.701 0.000 3/18816 70.0 7.275 8.301 8.185 0.000 -0.525 0.000 3/18816 80.0 5.946 6.757 6.615 0.000 -0.414 0.000 3/18816 90.0 5.025 5.691 5.541 0.000 -0.340 0.000 3/18816 100.0 4.354 4.916 4.767 0.000 -0.288 0.000 3/18816 110.0 3.843 4.329 4.184 0.000 -0.249 0.000 3/18816 120.0 3.443 3.871 3.732 0.000 -0.220 0.000 3/18816 130.0 3.121 3.503 3.370 0.000 -0.197 0.000 3/18816 140.0 2.856 3.201 3.074 0.000 -0.178 0.000 3/18816 150.0 2.634 2.949 2.828 0.000 -0.162 0.000 3/18816 160.0 2.446 2.735 2.620 0.000 -0.150 0.000 3/18816 170.0 2.283 2.551 2.441 0.000 -0.139 0.000 3/18816 180.0 2.142 2.392 2.286 0.000 -0.129 0.000 3/18816 190.0 2.017 2.251 2.151 0.000 -0.121 0.000 3/18816 200.0 1.907 2.127 2.031 0.000 -0.114 0.000 3/18816 210.0 1.809 2.017 1.924 0.000 -0.108 0.000 3/18816 220.0 1.720 1.917 1.828 0.000 -0.102 0.000 3/18816 230.0 1.640 1.827 1.742 0.000 -0.097 0.000 3/18816 240.0 1.568 1.746 1.664 0.000 -0.092 0.000 3/18816 250.0 1.501 1.672 1.592 0.000 -0.088 0.000 3/18816 260.0 1.440 1.604 1.527 0.000 -0.084 0.000 3/18816 270.0 1.385 1.541 1.467 0.000 -0.081 0.000 3/18816 280.0 1.333 1.483 1.412 0.000 -0.078 0.000 3/18816 290.0 1.285 1.430 1.360 0.000 -0.075 0.000 3/18816 300.0 1.241 1.380 1.313 0.000 -0.072 0.000 3/18816 310.0 1.199 1.334 1.269 0.000 -0.070 0.000 3/18816 320.0 1.160 1.290 1.227 0.000 -0.067 0.000 3/18816 330.0 1.124 1.250 1.189 0.000 -0.065 0.000 3/18816 340.0 1.090 1.212 1.152 0.000 -0.063 0.000 3/18816 350.0 1.058 1.176 1.118 0.000 -0.061 0.000 3/18816 360.0 1.028 1.143 1.086 0.000 -0.059 0.000 3/18816 370.0 1.000 1.111 1.056 0.000 -0.058 0.000 3/18816 380.0 0.973 1.081 1.027 0.000 -0.056 0.000 3/18816 390.0 0.947 1.053 1.000 0.000 -0.055 0.000 3/18816 400.0 0.923 1.026 0.975 0.000 -0.053 0.000 3/18816 410.0 0.900 1.000 0.950 0.000 -0.052 0.000 3/18816 420.0 0.878 0.976 0.927 0.000 -0.050 0.000 3/18816 430.0 0.858 0.953 0.905 0.000 -0.049 0.000 3/18816 440.0 0.838 0.931 0.884 0.000 -0.048 0.000 3/18816 450.0 0.819 0.910 0.864 0.000 -0.047 0.000 3/18816 460.0 0.801 0.890 0.845 0.000 -0.046 0.000 3/18816 470.0 0.784 0.870 0.827 0.000 -0.045 0.000 3/18816 480.0 0.767 0.852 0.809 0.000 -0.044 0.000 3/18816 490.0 0.751 0.834 0.792 0.000 -0.043 0.000 3/18816 500.0 0.736 0.818 0.776 0.000 -0.042 0.000 3/18816 510.0 0.721 0.801 0.761 0.000 -0.041 0.000 3/18816 520.0 0.707 0.786 0.746 0.000 -0.040 0.000 3/18816 530.0 0.694 0.771 0.732 0.000 -0.040 0.000 3/18816 540.0 0.681 0.756 0.718 0.000 -0.039 0.000 3/18816 550.0 0.668 0.742 0.705 0.000 -0.038 0.000 3/18816 560.0 0.656 0.729 0.692 0.000 -0.038 0.000 3/18816 570.0 0.645 0.716 0.680 0.000 -0.037 0.000 3/18816 580.0 0.634 0.704 0.668 0.000 -0.036 0.000 3/18816 590.0 0.623 0.692 0.656 0.000 -0.036 0.000 3/18816 600.0 0.612 0.680 0.645 0.000 -0.035 0.000 3/18816 610.0 0.602 0.669 0.635 0.000 -0.034 0.000 3/18816 620.0 0.592 0.658 0.624 0.000 -0.034 0.000 3/18816 630.0 0.583 0.647 0.614 0.000 -0.033 0.000 3/18816 640.0 0.574 0.637 0.605 0.000 -0.033 0.000 3/18816 650.0 0.565 0.627 0.595 0.000 -0.032 0.000 3/18816 660.0 0.556 0.618 0.586 0.000 -0.032 0.000 3/18816 670.0 0.548 0.608 0.577 0.000 -0.031 0.000 3/18816 680.0 0.540 0.599 0.569 0.000 -0.031 0.000 3/18816 690.0 0.532 0.591 0.561 0.000 -0.030 0.000 3/18816 700.0 0.524 0.582 0.552 0.000 -0.030 0.000 3/18816 710.0 0.517 0.574 0.545 0.000 -0.029 0.000 3/18816 720.0 0.510 0.566 0.537 0.000 -0.029 0.000 3/18816 730.0 0.503 0.558 0.530 0.000 -0.029 0.000 3/18816 740.0 0.496 0.551 0.522 0.000 -0.028 0.000 3/18816 750.0 0.489 0.543 0.515 0.000 -0.028 0.000 3/18816 760.0 0.483 0.536 0.509 0.000 -0.027 0.000 3/18816 770.0 0.477 0.529 0.502 0.000 -0.027 0.000 3/18816 780.0 0.470 0.522 0.495 0.000 -0.027 0.000 3/18816 790.0 0.464 0.516 0.489 0.000 -0.026 0.000 3/18816 800.0 0.459 0.509 0.483 0.000 -0.026 0.000 3/18816 810.0 0.453 0.503 0.477 0.000 -0.026 0.000 3/18816 820.0 0.447 0.497 0.471 0.000 -0.025 0.000 3/18816 830.0 0.442 0.491 0.466 0.000 -0.025 0.000 3/18816 840.0 0.437 0.485 0.460 0.000 -0.025 0.000 3/18816 850.0 0.432 0.479 0.455 0.000 -0.025 0.000 3/18816 860.0 0.427 0.474 0.449 0.000 -0.024 0.000 3/18816 870.0 0.422 0.468 0.444 0.000 -0.024 0.000 3/18816 880.0 0.417 0.463 0.439 0.000 -0.024 0.000 3/18816 890.0 0.412 0.458 0.434 0.000 -0.023 0.000 3/18816 900.0 0.408 0.452 0.429 0.000 -0.023 0.000 3/18816 910.0 0.403 0.447 0.424 0.000 -0.023 0.000 3/18816 920.0 0.399 0.443 0.420 0.000 -0.023 0.000 3/18816 930.0 0.394 0.438 0.415 0.000 -0.022 0.000 3/18816 940.0 0.390 0.433 0.411 0.000 -0.022 0.000 3/18816 950.0 0.386 0.429 0.407 0.000 -0.022 0.000 3/18816 960.0 0.382 0.424 0.402 0.000 -0.022 0.000 3/18816 970.0 0.378 0.420 0.398 0.000 -0.021 0.000 3/18816 980.0 0.374 0.415 0.394 0.000 -0.021 0.000 3/18816 990.0 0.370 0.411 0.390 0.000 -0.021 0.000 3/18816 1000.0 0.367 0.407 0.386 0.000 -0.021 0.000 3/18816 Thermal conductivity related properties were written into "kappa-m747.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:34:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|